Chembase list of 866358 unique molecular structures

ethyl 3-(2,6-dimethylmorpholin-4-yl)propanoate

$$$$ Data

M. F.

C11H21NO3

Suppliers	Catalog Number
MP Biomedicals	05223009
Matrix Scientific	037255

Database	Data ID
PubChem	98759

M. W.

215.28934

CAS

71172-51-5

Similarity

N/A

ID: 34502

ethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate

$$$$ Data

M. F.

C11H21NO3

Suppliers	Catalog Number
Matrix Scientific	037256

Database	Data ID
PubChem	25219491

M. W.

215.28934

CAS

Similarity

N/A

ID: 34503

ethyl 2-(morpholin-4-yl)propanoate

$$$$ Data

M. F.

C9H17NO3

Suppliers	Catalog Number
Matrix Scientific	037257
A&J Pharmtech	AJA-O23686

Database	Data ID
PubChem	13022013

M. W.

187.23618

CAS

32418-62-5

Similarity

N/A

ID: 34504

2-(pyrrolidin-1-yl)propan-1-ol

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Matrix Scientific	037258

Database	Data ID
PubChem	21884682

M. W.

129.2001

CAS

Similarity

N/A

ID: 34505

2-[(2-methoxyethyl)(methyl)amino]acetic acid

$$$$ Data

M. F.

C6H13NO3

Suppliers	Catalog Number
ChemBridge	4017705
Matrix Scientific	037259

Database	Data ID
PubChem	25219492

M. W.

147.17232

CAS

915925-21-2

Similarity

N/A

ID: 34506

2-(morpholin-4-yl)propan-1-ol

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Matrix Scientific	037260

Database	Data ID
PubChem	10986371

M. W.

145.1995

CAS

Similarity

N/A

ID: 34507

ethyl 3-(pyrrolidin-1-yl)propanoate

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Matrix Scientific	037261
Enamine	EN300-44843

Database	Data ID
PubChem	80590

M. W.

171.23678

CAS

6317-35-7

Similarity

N/A

ID: 34508

2-amino-N,N-dimethylpropanamide hydrochloride

$$$$ Data

M. F.

C5H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	037263

Database	Data ID
PubChem	23444485

M. W.

152.62252

CAS

Similarity

N/A

ID: 34509

N,N-dimethyl-2-(methylamino)propanamide

$$$$ Data

M. F.

C6H14N2O

Suppliers	Catalog Number
ChemBridge	4032058
Matrix Scientific	037264

Database	Data ID
PubChem	23033735

M. W.

130.18816

CAS

69902-16-5

Similarity

N/A

ID: 34510

(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride

$$$$ Data

M. F.

C9H16ClN3O

Suppliers	Catalog Number
Matrix Scientific	037265

Database	Data ID
PubChem	46736956

M. W.

217.69584

CAS

Similarity

N/A

ID: 34511

[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride

$$$$ Data

M. F.

C10H12ClN3O

Suppliers	Catalog Number
Matrix Scientific	037266

Database	Data ID
PubChem	46736957

M. W.

225.67478

CAS

Similarity

N/A

ID: 34512

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride

$$$$ Data

M. F.

C10H12ClN3O

Suppliers	Catalog Number
Matrix Scientific	037267
InterBioScreen	BB_SC-7520

Database	Data ID
PubChem	46736958

M. W.

225.67478

CAS

Similarity

N/A

ID: 34513

[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride

$$$$ Data

M. F.

C6H12ClN3O2

Suppliers	Catalog Number
Matrix Scientific	037268

Database	Data ID
PubChem	46736959

M. W.

193.63138

CAS

Similarity

N/A

ID: 34514

(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H14ClN3O

Suppliers	Catalog Number
Sigma Aldrich	CBR00841
Matrix Scientific	037269

Database	Data ID
PubChem	46736960

M. W.

191.65856

CAS

Similarity

N/A

ID: 34515

[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amine

$$$$ Data

M. F.

C7H11N3O

Suppliers	Catalog Number
ChemBridge	4012061
Matrix Scientific	037270

Database	Data ID
PubChem	25219496

M. W.

153.18174

CAS

1036471-29-0

Similarity

N/A

ID: 34516

[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride

$$$$ Data

M. F.

C8H10ClN3OS

Suppliers	Catalog Number
Matrix Scientific	037271

Database	Data ID
PubChem	46736961

M. W.

231.7025

CAS

Similarity

N/A

ID: 34517

methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine

$$$$ Data

M. F.

C5H9N3O

Suppliers	Catalog Number
ChemBridge	4102647
Matrix Scientific	037272

Database	Data ID
PubChem	25219498

M. W.

127.14446

CAS

933683-06-8

Similarity

N/A

ID: 34518

[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methanol

$$$$ Data

M. F.

C6H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00051
ChemBridge	4017853
Matrix Scientific	037273

Database	Data ID
PubChem	25219499

M. W.

142.1558

CAS

915925-45-0

Similarity

N/A

ID: 34519

[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methanol

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
ChemBridge	4032448
Matrix Scientific	037274

Database	Data ID
PubChem	25219500

M. W.

177.16008

CAS

1119451-10-3

Similarity

N/A

ID: 34520

1-(5-nitropyridin-2-yl)piperidin-4-amine

$$$$ Data

M. F.

C10H14N4O2

Suppliers	Catalog Number
Matrix Scientific	037275

Database	Data ID
PubChem	3165098

M. W.

222.24376

CAS

Similarity

N/A

ID: 34521

4-[2-(3-fluorophenyl)ethyl]piperidine

$$$$ Data

M. F.

C13H18FN

Suppliers	Catalog Number
ChemBridge	3002389
Matrix Scientific	037276

Database	Data ID
PubChem	4341897

M. W.

207.2871232

CAS

148492-14-2

Similarity

N/A

ID: 34522

2-methyl-4-(piperazin-1-yl)-6-propylpyrimidine

$$$$ Data

M. F.

C12H20N4

Suppliers	Catalog Number
Matrix Scientific	037277

Database	Data ID
PubChem	4778292

M. W.

220.314

CAS

Similarity

N/A

ID: 34523

2-methyl-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C10H13F3N4

Suppliers	Catalog Number
ChemBridge	3002902
Matrix Scientific	037278

Database	Data ID
PubChem	4778294

M. W.

246.2322296

CAS

893752-50-6

Similarity

N/A

ID: 34524

1-[2-(pyridin-4-yl)ethyl]piperazine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Matrix Scientific	037279
Apollo Scientific	OR0069
InterBioScreen	BB_SC-2134

Database	Data ID
PubChem	558685

M. W.

191.27278

CAS

Similarity

N/A

ID: 34525

4-[(4-ethoxyphenyl)methyl]piperidine

$$$$ Data

M. F.

C14H21NO

Suppliers	Catalog Number
Matrix Scientific	037280
A&J Pharmtech	AJA-O32356

Database	Data ID
PubChem	4778265

M. W.

219.32264

CAS

893754-76-2

Similarity

N/A

ID: 34526

methyl N-[2-(piperidin-2-yl)ethyl]carbamate

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Matrix Scientific	037281

Database	Data ID
PubChem	25219508

M. W.

186.25142

CAS

Similarity

N/A

ID: 34527

4-[(4-fluorophenyl)amino]piperidine-4-carboxamide

$$$$ Data

M. F.

C12H16FN3O

Suppliers	Catalog Number
Matrix Scientific	037282

Database	Data ID
PubChem	3165140

M. W.

237.2733432

CAS

Similarity

N/A

ID: 34528

4-cyclohexylpiperidine

$$$$ Data

M. F.

C11H21N

Suppliers	Catalog Number
ChemBridge	3002654
Matrix Scientific	037283
Enamine	EN300-43233

Database	Data ID
PubChem	424240

M. W.

167.29114

CAS

14446-73-2

Similarity

N/A

ID: 34529

4-[bis(4-ethoxyphenyl)methyl]piperidine

$$$$ Data

M. F.

C22H29NO2

Suppliers	Catalog Number
Matrix Scientific	037284

Database	Data ID
PubChem	5304871

M. W.

339.47116

CAS

Similarity

N/A

ID: 34530

4-(3-phenylpropyl)piperidine

$$$$ Data

M. F.

C14H21N

Suppliers	Catalog Number
Matrix Scientific	037285

Database	Data ID
PubChem	87678

M. W.

203.32324

CAS

18495-82-4

Similarity

N/A

ID: 34531

{1-[(4-fluorophenyl)methyl]piperidin-4-yl}methanamine

$$$$ Data

M. F.

C13H19FN2

Suppliers	Catalog Number
ChemBridge	3002565
Matrix Scientific	037286

Database	Data ID
PubChem	5200254

M. W.

222.3017632

CAS

174561-02-5

Similarity

N/A

ID: 34532

4-(4-ethoxybenzoyl)piperidine hydrochloride

$$$$ Data

M. F.

C14H20ClNO2

Suppliers	Catalog Number
Matrix Scientific	037287

Database	Data ID
PubChem	17118511

M. W.

269.7671

CAS

Similarity

N/A

ID: 34533

4-[2-(3,5-difluorophenyl)ethyl]piperidine

$$$$ Data

M. F.

C13H17F2N

Suppliers	Catalog Number
Matrix Scientific	037288

Database	Data ID
PubChem	25219509

M. W.

225.2775864

CAS

Similarity

N/A

ID: 34534

4-(4-bromophenyl)piperidine

$$$$ Data More

M. F.

C11H14BrN

Suppliers	Catalog Number
Alfa Aesar	H57102
Matrix Scientific	037289
Bide Pharmatech	BD13218

Database	Data ID
PubChem	2757159

M. W.

240.13956

CAS

80980-89-8

Similarity

N/A

ID: 34535

(4-ethoxyphenyl)(piperidin-4-yl)methanol

$$$$ Data

M. F.

C14H21NO2

Suppliers	Catalog Number
ChemBridge	3005014
Matrix Scientific	037290

Database	Data ID
PubChem	2996870

M. W.

235.32204

CAS

889957-75-9

Similarity

N/A

ID: 34536

[1-(3-phenylpropyl)piperidin-4-yl]methanamine

$$$$ Data

M. F.

C15H24N2

Suppliers	Catalog Number
ChemBridge	3005019
Matrix Scientific	037291

Database	Data ID
PubChem	24274905

M. W.

232.36446

CAS

223567-74-6

Similarity

N/A

ID: 34537

N-(4-methoxyphenyl)pyrrolidin-3-amine

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Matrix Scientific	037292

Database	Data ID
PubChem	25219510

M. W.

192.25754

CAS

Similarity

N/A

ID: 34538

N-(4-fluorophenyl)pyrrolidin-3-amine

$$$$ Data

M. F.

C10H13FN2

Suppliers	Catalog Number
Matrix Scientific	037293

Database	Data ID
PubChem	25219511

M. W.

180.2220232

CAS

Similarity

N/A

ID: 34539

1,4-diazepane-1-carbaldehyde

$$$$ Data More

M. F.

C6H12N2O

Suppliers	Catalog Number
ChemBridge	3002895
Alfa Aesar	L17575
Matrix Scientific	037294

Database	Data ID
PubChem	7006656

M. W.

128.17228

CAS

29053-62-1

Similarity

N/A

ID: 34540

methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate hydrobromide

$$$$ Data

M. F.

C19H22BrFN2O2

Suppliers	Catalog Number
Matrix Scientific	037295

Database	Data ID
PubChem	45371732

M. W.

409.2925832

CAS

Similarity

N/A

ID: 34541

(2S)-2,3-dimethyl-2-(piperazin-1-yl)butanoic acid dihydrochloride

$$$$ Data

M. F.

C10H22Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	037296

Database	Data ID
PubChem	45375713

M. W.

273.19988

CAS

Similarity

N/A

ID: 34542

sodium 1-[2-(pyridin-4-yl)ethyl]piperidine-4-carboxylate

$$$$ Data

M. F.

C13H17N2NaO2

Suppliers	Catalog Number
Matrix Scientific	037297

Database	Data ID
PubChem	45156302

M. W.

256.27605

CAS

Similarity

N/A

ID: 34543

1-[2-(thiophen-2-yl)ethyl]piperazine

$$$$ Data More

M. F.

C10H16N2S

Suppliers	Catalog Number
ChemBridge	3001948
Matrix Scientific	037298
Apollo Scientific	OR6920

Database	Data ID
PubChem	2737274

M. W.

196.31244

CAS

461046-73-1

Similarity

N/A

ID: 34544

[1-(furan-2-ylmethyl)piperidin-4-yl]methanamine

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Matrix Scientific	037299
Maybridge	CC68513
Life Chemicals	F2187-0048

Database	Data ID
PubChem	11816398

M. W.

194.27342

CAS

725211-89-2

Similarity

N/A

ID: 34545

3-(4-methoxyphenyl)piperidine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Matrix Scientific	037300

Database	Data ID
PubChem	12937920

M. W.

191.26948

CAS

19725-26-9

Similarity

N/A

ID: 34546

4-ethyl-1-[2-(piperidin-4-yl)ethyl]piperidine

$$$$ Data

M. F.

C14H28N2

Suppliers	Catalog Number
ChemBridge	3005317
Matrix Scientific	037301

Database	Data ID
PubChem	25219514

M. W.

224.38552

CAS

1000958-55-3

Similarity

N/A

ID: 34547

1-[2-(pyridin-4-yl)ethyl]-1,4-diazepane

$$$$ Data

M. F.

C12H19N3

Suppliers	Catalog Number
ChemBridge	3002404
Matrix Scientific	037302
InterBioScreen	BB_SC-3370

Database	Data ID
PubChem	8022488

M. W.

205.29936

CAS

887833-52-5

Similarity

N/A

ID: 34548

N-(4-fluorophenyl)piperidin-4-amine

$$$$ Data

M. F.

C11H15FN2

Suppliers	Catalog Number
Matrix Scientific	037303

Database	Data ID
PubChem	4778193

M. W.

194.2486032

CAS

Similarity

N/A

ID: 34549

4-(piperidine-2-carbonyl)morpholine

$$$$ Data

M. F.

C10H18N2O2

Suppliers	Catalog Number
Matrix Scientific	037304

Database	Data ID
PubChem	2794700

M. W.

198.26212

CAS

Similarity

N/A

ID: 34550

1-(2-phenylethyl)-1,4-diazepane dihydrochloride

$$$$ Data

M. F.

C13H22Cl2N2

Suppliers	Catalog Number
Matrix Scientific	037305

Database	Data ID
PubChem	21994126

M. W.

277.23318

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