Chembase list of 866358 unique molecular structures

[1-(2-methylpropyl)piperidin-3-yl]methanamine

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
Matrix Scientific	063278
Enamine	EN300-114128

Database	Data ID
PubChem	24274799

M. W.

170.29508

CAS

Similarity

N/A

ID: 58102

3-(furan-2-yl)-1H-pyrazole

$$$$ Data More

M. F.

C7H6N2O

Suppliers	Catalog Number
ChemBridge	4030611
Matrix Scientific	063279
Apollo Scientific	OR43

Database	Data ID
PubChem	818920

M. W.

134.13534

CAS

32332-98-2

Similarity

N/A

ID: 58103

3-(1H-pyrazol-3-yl)pyridine

$$$$ Data More

M. F.

C8H7N3

Suppliers	Catalog Number
Sigma Aldrich	CBR00102
ChemBridge	4030351
Matrix Scientific	063280

Database	Data ID
PubChem	7074967

M. W.

145.16128

CAS

45887-08-9

Similarity

N/A

ID: 58104

5-chloro-3-methyl-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C10H8ClNO

Suppliers	Catalog Number
ChemBridge	4009669
Matrix Scientific	063281

Database	Data ID
PubChem	12858880

M. W.

193.62962

CAS

40731-16-6

Similarity

N/A

ID: 58105

methyl[(3-methyl-1H-indol-2-yl)methyl]amine

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
ChemBridge	4010855
Matrix Scientific	063282

Database	Data ID
PubChem	26722512

M. W.

174.24226

CAS

894852-67-6

Similarity

N/A

ID: 58106

2-(4-methylmorpholin-2-yl)ethan-1-ol

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00293
ChemBridge	4021656
Matrix Scientific	063283

Database	Data ID
PubChem	21302848

M. W.

145.1995

CAS

959238-42-7

Similarity

N/A

ID: 58107

2-[4-(propan-2-yl)morpholin-2-yl]acetic acid

$$$$ Data

M. F.

C9H17NO3

Suppliers	Catalog Number
ChemBridge	4025130
Matrix Scientific	063284

Database	Data ID
PubChem	45791141

M. W.

187.23618

CAS

1177278-97-5

Similarity

N/A

ID: 58108

7-chloro-3-methyl-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C10H8ClNO

Suppliers	Catalog Number
ChemBridge	4009673
Matrix Scientific	063285

Database	Data ID
PubChem	17750925

M. W.

193.62962

CAS

910442-16-9

Similarity

N/A

ID: 58109

methyl({[1-(propan-2-yl)pyrrolidin-3-yl]methyl})amine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
ChemBridge	4002988
Matrix Scientific	063286

Database	Data ID
PubChem	17999088

M. W.

156.2685

CAS

884504-73-8

Similarity

N/A

ID: 58110

(1-methylpyrrolidin-3-yl)methanol

$$$$ Data More

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4003799
Matrix Scientific	063287
Enamine	EN300-113523

Database	Data ID
PubChem	295970

M. W.

115.17352

CAS

5021-33-0

Similarity

N/A

ID: 58111

(1-phenylpyrrolidin-3-yl)methanol

$$$$ Data More

M. F.

C11H15NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00380
ChemBridge	4003804
Matrix Scientific	063288

Database	Data ID
PubChem	17999087

M. W.

177.2429

CAS

99858-80-7

Similarity

N/A

ID: 58112

methyl[(1-phenylpyrrolidin-3-yl)methyl]amine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
ChemBridge	4003806
Matrix Scientific	063289

Database	Data ID
PubChem	24275373

M. W.

190.28472

CAS

Similarity

N/A

ID: 58113

2-{4-[(methylamino)methyl]piperidin-1-yl}ethan-1-ol

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
ChemBridge	4009655
Matrix Scientific	063290
Enamine	EN300-71015

Database	Data ID
PubChem	28063525

M. W.

172.2679

CAS

915923-96-5

Similarity

N/A

ID: 58114

[1-(2-phenylethyl)piperidin-3-yl]methanol

$$$$ Data

M. F.

C14H21NO

Suppliers	Catalog Number
ChemBridge	4010741
Matrix Scientific	063291

Database	Data ID
PubChem	23884690

M. W.

219.32264

CAS

92322-05-9

Similarity

N/A

ID: 58115

[1-(2-phenylethyl)piperidin-4-yl]methanol

$$$$ Data

M. F.

C14H21NO

Suppliers	Catalog Number
ChemBridge	4010734
Matrix Scientific	063292

Database	Data ID
PubChem	10262879

M. W.

219.32264

CAS

67686-02-6

Similarity

N/A

ID: 58116

4-azaspiro[2.4]heptan-5-one

$$$$ Data

M. F.

C6H9NO

Suppliers	Catalog Number
Matrix Scientific	063293

Database	Data ID
PubChem	10678200

M. W.

111.14176

CAS

Similarity

N/A

ID: 58117

6-azaspiro[3.5]nonan-5-one

$$$$ Data

M. F.

C8H13NO

Suppliers	Catalog Number
Matrix Scientific	063294

Database	Data ID
PubChem	46318285

M. W.

139.19492

CAS

Similarity

N/A

ID: 58118

ethyl 3-phenyl-1H-pyrazole-5-carboxylate

$$$$ Data More

M. F.

C12H12N2O2

Suppliers	Catalog Number
Matrix Scientific	063295
InterBioScreen	BB_SC-0650
Bide Pharmatech	BD105276

Database	Data ID
PubChem	138628

M. W.

216.23588

CAS

5932-30-9

Similarity

N/A

ID: 58119

methyl 3-(1H-pyrrol-1-yl)benzoate

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Matrix Scientific	063296

Database	Data ID
PubChem	3322314

M. W.

201.22124

CAS

Similarity

N/A

ID: 58120

ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Matrix Scientific	063297
Key Organics	DG-0049

Database	Data ID
PubChem	23005643

M. W.

180.20378

CAS

5932-31-0

Similarity

N/A

ID: 58121

ethyl 5-propyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
Alfa Aesar	L17687
Matrix Scientific	063298 066651
A&J Pharmtech	AJA-O14493

Database	Data ID
PubChem	7365260

M. W.

182.21966

CAS

92945-27-2

Similarity

N/A

ID: 58122

(7-chloro-3-methyl-1H-indol-2-yl)methanol

$$$$ Data

M. F.

C10H10ClNO

Suppliers	Catalog Number
Matrix Scientific	063299

Database	Data ID
PubChem	12979374

M. W.

195.6455

CAS

Similarity

N/A

ID: 58123

(5-chloro-3-methyl-1H-indol-2-yl)methanol

$$$$ Data

M. F.

C10H10ClNO

Suppliers	Catalog Number
ChemBridge	9071172
Matrix Scientific	063300

Database	Data ID
PubChem	3342383

M. W.

195.6455

CAS

77373-72-9

Similarity

N/A

ID: 58124

(3,7-dimethyl-1H-indol-2-yl)methanol

$$$$ Data

M. F.

C11H13NO

Suppliers	Catalog Number
Matrix Scientific	063301

Database	Data ID
PubChem	12979373

M. W.

175.22702

CAS

Similarity

N/A

ID: 58125

4-benzyl-1,4-oxazepan-3-one

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Matrix Scientific	063302

Database	Data ID
PubChem	46318286

M. W.

205.253

CAS

Similarity

N/A

ID: 58126

[2-(4-ethylmorpholin-2-yl)ethyl](methyl)amine

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Matrix Scientific	063303

Database	Data ID
PubChem	46318287

M. W.

172.2679

CAS

Similarity

N/A

ID: 58127

5,5-dimethylmorpholin-3-one

$$$$ Data

M. F.

C6H11NO2

Suppliers	Catalog Number
Matrix Scientific	063304

Database	Data ID
PubChem	20063801

M. W.

129.15704

CAS

Similarity

N/A

ID: 58128

3,3-dimethylmorpholine

$$$$ Data More

M. F.

C6H13NO

Suppliers	Catalog Number
Matrix Scientific	063305
Enamine	EN300-51940
Bide Pharmatech	BD81408

Database	Data ID
PubChem	14551849

M. W.

115.17352

CAS

59229-63-9

Similarity

N/A

ID: 58129

tert-butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

$$$$ Data

M. F.

C13H22N2O3

Suppliers	Catalog Number
Matrix Scientific	063306
A&J Pharmtech	AJA-O14726

Database	Data ID
PubChem	10015184

M. W.

254.32538

CAS

169206-67-1

Similarity

N/A

ID: 58130

8-methyl-2-azaspiro[4.5]decan-3-one

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Matrix Scientific	063307

Database	Data ID
PubChem	10583210

M. W.

167.24808

CAS

Similarity

N/A

ID: 58131

4-(2-methylpropyl)pyrrolidin-2-one

$$$$ Data More

M. F.

C8H15NO

Suppliers	Catalog Number
ChemBridge	4026757
Matrix Scientific	063308
TRC	I786500

Database	Data ID
PubChem	16101323

M. W.

141.2108

CAS

61312-87-6

Similarity

N/A

ID: 58132

4-propylpyrrolidin-2-one

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Matrix Scientific	063309
Enamine	EN300-95272

Database	Data ID
PubChem	14178100

M. W.

127.18422

CAS

Similarity

N/A

ID: 58133

4,4-diethylpyrrolidin-2-one

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
Matrix Scientific	063310

Database	Data ID
PubChem	21718840

M. W.

141.2108

CAS

Similarity

N/A

ID: 58134

2-azaspiro[4.5]decan-3-one

$$$$ Data More

M. F.

C9H15NO

Suppliers	Catalog Number
Sigma Aldrich	553743
Matrix Scientific	063311
TRC	G117275

Database	Data ID
PubChem	47457

M. W.

153.2215

CAS

64744-50-9

Similarity

N/A

ID: 58135

4-cyclopropyl-4-methylpyrrolidin-2-one

$$$$ Data

M. F.

C8H13NO

Suppliers	Catalog Number
ChemBridge	4026749
Matrix Scientific	063312

Database	Data ID
PubChem	45791160

M. W.

139.19492

CAS

959240-08-5

Similarity

N/A

ID: 58136

2-azaspiro[4.6]undecan-3-one

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00301
ChemBridge	4026752
Matrix Scientific	063313

Database	Data ID
PubChem	23336699

M. W.

167.24808

CAS

134617-89-3

Similarity

N/A

ID: 58137

4-benzylpyrrolidin-2-one

$$$$ Data

M. F.

C11H13NO

Suppliers	Catalog Number
ChemBridge	4026758
Matrix Scientific	063314

Database	Data ID
PubChem	18784895

M. W.

175.22702

CAS

30200-04-5

Similarity

N/A

ID: 58138

4-methyl-4-(propan-2-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
Matrix Scientific	063315

Database	Data ID
PubChem	46318288

M. W.

141.2108

CAS

Similarity

N/A

ID: 58139

8-methyl-2,8-diazaspiro[4.5]decan-3-one

$$$$ Data

M. F.

C9H16N2O

Suppliers	Catalog Number
ChemBridge	4026753
Matrix Scientific	063316

Database	Data ID
PubChem	10012299

M. W.

168.23614

CAS

154495-67-7

Similarity

N/A

ID: 58140

methyl[(5-propyl-1H-pyrazol-3-yl)methyl]amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
ChemBridge	4100095
Matrix Scientific	063317

Database	Data ID
PubChem	579935

M. W.

153.2248

CAS

880361-74-0

Similarity

N/A

ID: 58141

(5-phenyl-1H-pyrazol-3-yl)methanamine

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
ChemBridge	4102160
Matrix Scientific	063318

Database	Data ID
PubChem	17750927

M. W.

173.21444

CAS

936940-08-8

Similarity

N/A

ID: 58142

2-[4-(hydroxymethyl)piperidin-1-yl]ethan-1-ol

$$$$ Data

M. F.

C8H17NO2

Suppliers	Catalog Number
Matrix Scientific	063319

Database	Data ID
PubChem	43509582

M. W.

159.22608

CAS

Similarity

N/A

ID: 58143

[1-(2-methoxyethyl)piperidin-4-yl]methanol

$$$$ Data

M. F.

C9H19NO2

Suppliers	Catalog Number
ChemBridge	4010733
Matrix Scientific	063320

Database	Data ID
PubChem	28063614

M. W.

173.25266

CAS

915919-97-0

Similarity

N/A

ID: 58144

[1-(2-methoxyethyl)piperidin-3-yl]methanol

$$$$ Data

M. F.

C9H19NO2

Suppliers	Catalog Number
ChemBridge	4010738
Matrix Scientific	063321

Database	Data ID
PubChem	45791056

M. W.

173.25266

CAS

915921-51-6

Similarity

N/A

ID: 58145

methyl({[1-(2-methylpropyl)pyrrolidin-3-yl]methyl})amine

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
ChemBridge	4002906
Matrix Scientific	063322

Database	Data ID
PubChem	17998750

M. W.

170.29508

CAS

887405-45-0

Similarity

N/A

ID: 58146

{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}(methyl)amine

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
ChemBridge	4002907
Matrix Scientific	063323

Database	Data ID
PubChem	17998751

M. W.

172.2679

CAS

910442-18-1

Similarity

N/A

ID: 58147

[(1-ethylpyrrolidin-3-yl)methyl](methyl)amine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
ChemBridge	4002905
Matrix Scientific	063324

Database	Data ID
PubChem	17998752

M. W.

142.24192

CAS

884504-74-9

Similarity

N/A

ID: 58148

[1-(2-methylpropyl)pyrrolidin-3-yl]methanol

$$$$ Data

M. F.

C9H19NO

Suppliers	Catalog Number
Matrix Scientific	063325

Database	Data ID
PubChem	17999086

M. W.

157.25326

CAS

910442-13-6

Similarity

N/A

ID: 58149

2-azaspiro[4.5]decane

$$$$ Data

M. F.

C9H17N

Suppliers	Catalog Number
Matrix Scientific	063326
Enamine	EN300-88775

Database	Data ID
PubChem	418822

M. W.

139.23798

CAS

176-66-9

Similarity

N/A

ID: 58150

8-methyl-2-azaspiro[4.5]decane

$$$$ Data

M. F.

C10H19N

Suppliers	Catalog Number
Matrix Scientific	063327
Enamine	EN300-77553

Database	Data ID
PubChem	46318289

M. W.

153.26456

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified