Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
Matrix Scientific	037306
Chemik	CHH15602
Enamine	EN300-43464

Database	Data ID
PubChem	4169719

M. W.

142.19886

CAS

5810-55-9

Similarity

N/A

ID: 34552

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

$$$$ Data

M. F.

C15H22N2O2

Suppliers	Catalog Number
Matrix Scientific	037307

Database	Data ID
PubChem	25219515

M. W.

262.34738

CAS

Similarity

N/A

ID: 34553

1-[4-(3-chlorobenzoyl)phenyl]piperazine

$$$$ Data

M. F.

C17H17ClN2O

Suppliers	Catalog Number
Matrix Scientific	037308

Database	Data ID
PubChem	7148692

M. W.

300.78268

CAS

Similarity

N/A

ID: 34554

N,N-dimethyl-4-(piperidin-4-yl)piperidine-1-sulfonamide

$$$$ Data

M. F.

C12H25N3O2S

Suppliers	Catalog Number
ChemBridge	3002005
Matrix Scientific	037309

Database	Data ID
PubChem	25219516

M. W.

275.4108

CAS

1000958-59-7

Similarity

N/A

ID: 34555

N-[2-(piperidin-4-yl)ethyl]methanesulfonamide hydrochloride

$$$$ Data

M. F.

C8H19ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	037310

Database	Data ID
PubChem	20511180

M. W.

242.76666

CAS

70922-37-1

Similarity

N/A

ID: 34556

N-cyclohexylpiperidin-4-amine

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
Matrix Scientific	037311

Database	Data ID
PubChem	4778242

M. W.

182.30578

CAS

Similarity

N/A

ID: 34557

7-oxabicyclo[2.2.1]heptan-2-ylmethanamine

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
ChemBridge	3003005
Matrix Scientific	037312
Enamine	EN300-76799

Database	Data ID
PubChem	12282092

M. W.

127.18422

CAS

153005-43-7

Similarity

N/A

ID: 34558

(1R,2S,6R,7S)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene

$$$$ Data

M. F.

C9H13N

Suppliers	Catalog Number
Matrix Scientific	037313

Database	Data ID
PubChem	12655650

M. W.

135.20622

CAS

5263-68-3

Similarity

N/A

ID: 34559

1-[4-(piperidin-4-yl)piperidin-1-yl]ethan-1-one

$$$$ Data

M. F.

C12H22N2O

Suppliers	Catalog Number
Matrix Scientific	037314

Database	Data ID
PubChem	4778254

M. W.

210.31588

CAS

Similarity

N/A

ID: 34560

1-(benzenesulfonyl)piperidin-4-amine

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
ChemBridge	4031010
Matrix Scientific	037315

Database	Data ID
PubChem	4778222

M. W.

240.32194

CAS

228259-70-9

Similarity

N/A

ID: 34561

1-(4-fluorobenzoyl)-4-(piperidin-4-yl)piperidine

$$$$ Data

M. F.

C17H23FN2O

Suppliers	Catalog Number
ChemBridge	3002220
Matrix Scientific	037316

Database	Data ID
PubChem	4778255

M. W.

290.3757232

CAS

886506-15-6

Similarity

N/A

ID: 34562

1-[2-(pyridin-4-yl)ethyl]piperidine-3-carboxylic acid

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Matrix Scientific	037317

Database	Data ID
PubChem	4778249

M. W.

234.29422

CAS

Similarity

N/A

ID: 34563

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

$$$$ Data

M. F.

C13H18ClN

Suppliers	Catalog Number
Matrix Scientific	037318

Database	Data ID
PubChem	4341899

M. W.

223.74172

CAS

Similarity

N/A

ID: 34564

3-(pyrrolidin-1-yl)pyrrolidine

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
ChemBridge	4020370
Matrix Scientific	037319
Enamine	EN300-61758

Database	Data ID
PubChem	14627375

M. W.

140.22604

CAS

267241-99-6

Similarity

N/A

ID: 34565

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

$$$$ Data

M. F.

C13H26N2

Suppliers	Catalog Number
ChemBridge	3002788
Matrix Scientific	037320

Database	Data ID
PubChem	4778235

M. W.

210.35894

CAS

96901-05-2

Similarity

N/A

ID: 34566

4-fluoro-N-(piperidin-4-yl)benzamide

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Matrix Scientific	037321
Enamine	EN300-31529

Database	Data ID
PubChem	4778226

M. W.

222.2587032

CAS

75484-39-8

Similarity

N/A

ID: 34567

N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine

$$$$ Data

M. F.

C12H15F3N2O

Suppliers	Catalog Number
Matrix Scientific	037322

Database	Data ID
PubChem	6623740

M. W.

260.2555096

CAS

Similarity

N/A

ID: 34568

2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetic acid hydrobromide

$$$$ Data

M. F.

C18H20BrFN2O2

Suppliers	Catalog Number
Matrix Scientific	037323

Database	Data ID
PubChem	45371733

M. W.

395.2660032

CAS

Similarity

N/A

ID: 34569

N-(piperidin-3-ylmethyl)morpholine-4-carboxamide

$$$$ Data

M. F.

C11H21N3O2

Suppliers	Catalog Number
Matrix Scientific	037324

Database	Data ID
PubChem	25219518

M. W.

227.30334

CAS

Similarity

N/A

ID: 34570

N-(4-methoxyphenyl)piperidin-4-amine

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Matrix Scientific	037325
A&J Pharmtech	AJA-O4051

Database	Data ID
PubChem	7148675

M. W.

206.28412

CAS

37656-54-5

Similarity

N/A

ID: 34571

N-phenylpyrrolidin-3-amine

$$$$ Data

M. F.

C10H14N2

Suppliers	Catalog Number
Matrix Scientific	037326
Enamine	EN300-61759

Database	Data ID
PubChem	11412557

M. W.

162.23156

CAS

17741-13-8

Similarity

N/A

ID: 34572

(3aS,7aR)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole

$$$$ Data

M. F.

C9H15N

Suppliers	Catalog Number
Matrix Scientific	037327

Database	Data ID
PubChem	25219519

M. W.

137.2221

CAS

Similarity

N/A

ID: 34573

N-phenylpiperidin-4-amine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Matrix Scientific	037328

Database	Data ID
PubChem	89982

M. W.

176.25814

CAS

23056-29-3

Similarity

N/A

ID: 34574

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

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Matrix Scientific	037329

Database	Data ID
PubChem	25219520

M. W.

192.25754

CAS

Similarity

N/A

ID: 34575

3-(4-fluorophenyl)-2,5-dihydrofuran-2,5-dione

$$$$ Data

M. F.

C10H5FO3

Suppliers	Catalog Number
Matrix Scientific	037330

Database	Data ID
PubChem	577805

M. W.

192.1433032

CAS

Similarity

N/A

ID: 34576

3-(4-methoxyphenyl)-2,5-dihydrofuran-2,5-dione

$$$$ Data

M. F.

C11H8O4

Suppliers	Catalog Number
Matrix Scientific	037331

Database	Data ID
PubChem	583401

M. W.

204.17882

CAS

Similarity

N/A

ID: 34577

3-(2-methoxyphenyl)-2,5-dihydrofuran-2,5-dione

$$$$ Data

M. F.

C11H8O4

Suppliers	Catalog Number
Matrix Scientific	037332

Database	Data ID
PubChem	25219521

M. W.

204.17882

CAS

Similarity

N/A

ID: 34578

4-(piperidin-4-yl)-1-(pyrrolidine-1-sulfonyl)piperidine

$$$$ Data

M. F.

C14H27N3O2S

Suppliers	Catalog Number
ChemBridge	3001765
Matrix Scientific	037333

Database	Data ID
PubChem	25219522

M. W.

301.44808

CAS

1000958-63-3

Similarity

N/A

ID: 34579

N,N-diethyl-4-(piperidin-4-yl)piperidine-1-sulfonamide

$$$$ Data

M. F.

C14H29N3O2S

Suppliers	Catalog Number
Matrix Scientific	037334

Database	Data ID
PubChem	25219523

M. W.

303.46396

CAS

Similarity

N/A

ID: 34580

4-(thiophen-2-yl)piperidine

$$$$ Data

M. F.

C9H13NS

Suppliers	Catalog Number
ChemBridge	3002089
Matrix Scientific	037335

Database	Data ID
PubChem	19095574

M. W.

167.27122

CAS

198334-38-2

Similarity

N/A

ID: 34581

[4-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine

$$$$ Data More

M. F.

C11H13N3

Suppliers	Catalog Number
ChemBridge	4012457
Matrix Scientific	037336
Maybridge	CC61413

Database	Data ID
PubChem	4913134

M. W.

187.24102

CAS

883291-45-0

Similarity

N/A

ID: 34582

pyrrolidin-3-ylmethanol

$$$$ Data More

M. F.

C5H11NO

Suppliers	Catalog Number
Sigma Aldrich	727652
ChemBridge	4003674
Alfa Aesar	H57225

Database	Data ID
PubChem	13400657

M. W.

101.14694

CAS

5082-74-6

Similarity

N/A

ID: 34583

2-(4-methyl-1H-pyrazol-1-yl)propanoic acid

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
ChemBridge	4030213
Matrix Scientific	037338
Enamine	EN300-83579

Database	Data ID
PubChem	17024576

M. W.

154.1665

CAS

1005582-20-6

Similarity

N/A

ID: 34584

4-tert-butyl-2,3-dihydro-1H-imidazol-2-one

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
ChemBridge	4030371
Matrix Scientific	037339

Database	Data ID
PubChem	17750060

M. W.

140.18298

CAS

623547-65-9

Similarity

N/A

ID: 34585

ethyl 2-(methylsulfanyl)-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C7H9NO2S2

Suppliers	Catalog Number
Matrix Scientific	037340

Database	Data ID
PubChem	25219524

M. W.

203.28186

CAS

Similarity

N/A

ID: 34586

2-(methylsulfanyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C5H5NO2S2

Suppliers	Catalog Number
ChemBridge	4402639
Matrix Scientific	037341

Database	Data ID
PubChem	25219525

M. W.

175.2287

CAS

907543-75-3

Similarity

N/A

ID: 34587

[1-(prop-2-en-1-yl)pyrrolidin-3-yl]methanol

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
ChemBridge	4026416
Matrix Scientific	037342

Database	Data ID
PubChem	25219526

M. W.

141.2108

CAS

71548-32-8

Similarity

N/A

ID: 34588

1-isocyanatoadamantane

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Matrix Scientific	037343
Life Chemicals	F2158-1541
A&J Pharmtech	AJA-O39122

Database	Data ID
PubChem	2059995

M. W.

177.2429

CAS

4411-25-0

Similarity

N/A

ID: 34589

3-oxo-3-(pyrrolidin-1-yl)propanenitrile

$$$$ Data More

M. F.

C7H10N2O

Suppliers	Catalog Number
Alfa Aesar	A12523
Matrix Scientific	037344
Key Organics	5N-822

Database	Data ID
PubChem	84272

M. W.

138.1671

CAS

14227-95-3

Similarity

N/A

ID: 34590

2-cyano-N-hexylacetamide

$$$$ Data

M. F.

C9H16N2O

Suppliers	Catalog Number
Matrix Scientific	037345
Enamine	EN300-24250

Database	Data ID
PubChem	4379529

M. W.

168.23614

CAS

52493-37-5

Similarity

N/A

ID: 34591

3-(morpholin-4-yl)-3-oxopropanenitrile

$$$$ Data More

M. F.

C7H10N2O2

Suppliers	Catalog Number
Alfa Aesar	A11969
Matrix Scientific	037346
Key Organics	5N-820

Database	Data ID
PubChem	229279

M. W.

154.1665

CAS

15029-32-0

Similarity

N/A

ID: 34592

N-benzyl-2-cyanoacetamide

$$$$ Data More

M. F.

C10H10N2O

Suppliers	Catalog Number
Matrix Scientific	037347
Key Organics	FA-0601
Apollo Scientific	OR14083

Database	Data ID
PubChem	668298

M. W.

174.1992

CAS

10412-93-8

Similarity

N/A

ID: 34593

2-cyano-N-(propan-2-yl)acetamide

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
Matrix Scientific	037348
Apollo Scientific	OR21455

Database	Data ID
PubChem	735795

M. W.

126.1564

CAS

52573-74-7

Similarity

N/A

ID: 34594

2-cyano-N-cyclohexylacetamide

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
Matrix Scientific	037349
Enamine	EN300-01309

Database	Data ID
PubChem	706143

M. W.

166.22026

CAS

15029-38-6

Similarity

N/A

ID: 34595

N-tert-butyl-2-cyanoacetamide

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Matrix Scientific	037350

Database	Data ID
PubChem	1515876

M. W.

140.18298

CAS

Similarity

N/A

ID: 34596

1-(1-chloropropan-2-yl)piperidine hydrochloride

$$$$ Data

M. F.

C8H17Cl2N

Suppliers	Catalog Number
Matrix Scientific	037351

Database	Data ID
PubChem	46736962

M. W.

198.13328

CAS

Similarity

N/A

ID: 34597

4-(1-chloropropan-2-yl)morpholine hydrochloride

$$$$ Data

M. F.

C7H15Cl2NO

Suppliers	Catalog Number
Matrix Scientific	037352

Database	Data ID
PubChem	46736963

M. W.

200.1061

CAS

Similarity

N/A

ID: 34598

ethyl 3-(4-methyl-1H-pyrazol-1-yl)propanoate

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
Matrix Scientific	037353

Database	Data ID
PubChem	25219527

M. W.

182.21966

CAS

Similarity

N/A

ID: 34599

4-(1H-pyrazol-1-yl)butan-2-one

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
ChemBridge	4033649
Matrix Scientific	037354
Enamine	EN300-127257

Database	Data ID
PubChem	914789

M. W.

138.1671

CAS

89943-03-3

Similarity

N/A

ID: 34600

5-(propan-2-yl)-1,3,4-oxadiazol-2-amine

$$$$ Data

M. F.

C5H9N3O

Suppliers	Catalog Number
ChemBridge	4013101
Matrix Scientific	037355
Enamine	EN300-31308

Database	Data ID
PubChem	12866706

M. W.

127.14446

CAS

65283-97-8

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