Chembase list of 866358 unique molecular structures

ID: 812001

tert-butyl 4-(cyclooctylamino)piperidine-1-carboxylate

$$$$

M. F.

C18H34N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31678

Database

Data ID

M. W.

310.47476

CAS

Similarity

N/A

ID: 812002

tert-butyl 4-(cycloheptylamino)piperidine-1-carboxylate

$$$$

M. F.

C17H32N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31679

Database

Data ID

M. W.

296.44818

CAS

319427-80-0

Similarity

N/A

ID: 812003

tert-butyl 4-(cyclohexylamino)piperidine-1-carboxylate

$$$$

M. F.

C16H30N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31680

Database

Data ID

M. W.

282.4216

CAS

206274-13-7

Similarity

N/A

ID: 812004

tert-butyl 4-(cyclopentylamino)piperidine-1-carboxylate

$$$$

M. F.

C15H28N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31681

Database

Data ID

M. W.

268.39502

CAS

812690-40-7

Similarity

N/A

ID: 812005

tert-butyl 4-(cyclobutylamino)piperidine-1-carboxylate

$$$$

M. F.

C14H26N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31682

Database

Data ID

M. W.

254.36844

CAS

812690-41-8

Similarity

N/A

ID: 812006

methyl (2S,3S)-2-methylpiperidine-3-carboxylate

$$$$

M. F.

C8H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31683

Database

Data ID

M. W.

157.2102

CAS

476187-32-3

Similarity

N/A

ID: 812007

5-chloro-2-(piperidin-4-yloxy)pyridine

$$$$

M. F.

C10H13ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31686

Database

Data ID

M. W.

212.67602

CAS

260441-44-9

Similarity

N/A

ID: 812008

4-(phenylsulfanyl)piperidine

$$$$

M. F.

C11H15NS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31687

Database

Data ID

M. W.

193.3085

CAS

101798-65-6

Similarity

N/A

ID: 812009

1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid

$$$$

M. F.

C13H15Cl2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31688

Database

Data ID

M. W.

288.1697

CAS

147959-16-8

Similarity

N/A

ID: 812010

tert-butyl 4-{[(pyridin-2-yl)methyl]amino}piperidine-1-carboxylate

$$$$

M. F.

C16H25N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31690

Database

Data ID

M. W.

291.3886

CAS

885274-56-6

Similarity

N/A

ID: 812011

2-(piperidin-4-ylsulfanyl)pyridine

$$$$

M. F.

C10H14N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31692

Database

Data ID

M. W.

194.29656

CAS

99202-33-2

Similarity

N/A

ID: 812012

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate

$$$$

M. F.

C17H22ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31693

Database

Data ID

M. W.

323.81448

CAS

209808-06-0

Similarity

N/A

ID: 812013

5-methyl-3-(piperidin-4-yl)-1H-indole

$$$$

M. F.

C14H18N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31698

Database

Data ID

M. W.

214.30612

CAS

149669-44-3

Similarity

N/A

ID: 812014

4-(4-methanesulfonylphenyl)piperidine

$$$$

M. F.

C12H17NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31699

Database

Data ID

M. W.

239.33388

CAS

885274-65-7

Similarity

N/A

ID: 812015

4-(4-phenoxyphenyl)piperidine

$$$$

M. F.

C17H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31700

Database

Data ID

M. W.

253.33886

CAS

181207-55-6

Similarity

N/A

ID: 812016

4-(5-phenyl-1,3-thiazol-2-yl)piperidine

$$$$

M. F.

C14H16N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31701

Database

Data ID

M. W.

244.35524

CAS

885274-68-0

Similarity

N/A

ID: 812017

4-(4-phenylbenzoyl)piperidine

$$$$

M. F.

C18H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31702

Database

Data ID

M. W.

265.34956

CAS

42060-83-3

Similarity

N/A

ID: 812018

4-(4-tert-butylbenzoyl)piperidine hydrochloride

$$$$

M. F.

C16H24ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31703

Database

Data ID

M. W.

281.82086

CAS

42060-78-6

Similarity

N/A

ID: 812019

4-[4-(methylsulfanyl)phenyl]piperidine

$$$$

M. F.

C12H17NS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31704

Database

Data ID

M. W.

207.33508

CAS

161609-97-8

Similarity

N/A

ID: 812020

N-(4-nitrophenyl)piperidin-4-amine

$$$$

M. F.

C11H15N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31706

Database

Data ID

M. W.

221.2557

CAS

401565-90-0

Similarity

N/A

ID: 812021

5-nitro-2-(piperidin-4-yl)pyridine

$$$$

M. F.

C10H13N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31707

Database

Data ID

M. W.

207.22912

CAS

885274-74-8

Similarity

N/A

ID: 812022

6-chloro-3-(piperidin-4-yl)-1H-indole

$$$$

M. F.

C13H15ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31708

Database

Data ID

M. W.

234.7246

CAS

180160-78-5

Similarity

N/A

ID: 812023

4-(piperidin-4-yl)quinolin-1-ium-1-olate

$$$$

M. F.

C14H16N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31709

Database

Data ID

M. W.

228.28964

CAS

885274-79-3

Similarity

N/A

ID: 812024

2-chloro-6-(piperidin-4-yloxy)pyridine

$$$$

M. F.

C10H13ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31710

Database

Data ID

M. W.

212.67602

CAS

99202-32-1

Similarity

N/A

ID: 812025

4-[4-(1H-imidazol-1-yl)phenoxy]piperidine

$$$$

M. F.

C14H17N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31714

Database

Data ID

M. W.

243.30428

CAS

397277-13-3

Similarity

N/A

ID: 812026

2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-ylidene)acetic acid

$$$$

M. F.

C22H21NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31716

Database

Data ID

M. W.

363.40644

CAS

885274-82-8

Similarity

N/A

ID: 812027

{4-[1-(prop-2-en-1-yl)piperidin-2-yl]phenyl}boronic acid

$$$$

M. F.

C14H20BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31720

Database

Data ID

M. W.

245.1251

CAS

Similarity

N/A

ID: 812028

2-(4-oxopiperidin-1-yl)acetic acid

$$$$

M. F.

C7H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31721

Database

Data ID

M. W.

157.16714

CAS

218772-96-4

Similarity

N/A

ID: 812029

prop-2-en-1-yl 3-oxopiperidine-1-carboxylate

$$$$

M. F.

C9H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31722

Database

Data ID

M. W.

183.20442

CAS

885274-83-9

Similarity

N/A

ID: 812030

prop-2-en-1-yl N-(piperidin-3-yl)carbamate

$$$$

M. F.

C9H16N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31723

Database

Data ID

M. W.

184.23554

CAS

885274-85-1

Similarity

N/A

ID: 812031

prop-2-en-1-yl N-(piperidin-4-yl)carbamate

$$$$

M. F.

C9H16N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31725

Database

Data ID

M. W.

184.23554

CAS

1023810-85-6

Similarity

N/A

ID: 812032

(9H-fluoren-9-yl)methyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride

$$$$

M. F.

C20H23ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31729

Database

Data ID

M. W.

358.86182

CAS

Similarity

N/A

ID: 812033

(2S)-1-cyclohexyl-2-methylpiperazine

$$$$

M. F.

C11H22N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31733

Database

Data ID

M. W.

182.30578

CAS

1135185-61-3

Similarity

N/A

ID: 812034

(2R)-1-cyclohexyl-2-methylpiperazine

$$$$

M. F.

C11H22N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31734

Database

Data ID

M. W.

182.30578

CAS

1134675-36-7

Similarity

N/A

ID: 812035

1-{4-[(pyridin-3-yl)methoxy]phenyl}piperazine

$$$$

M. F.

C16H19N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31736

Database

Data ID

M. W.

269.34156

CAS

862471-97-4

Similarity

N/A

ID: 812036

tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate

$$$$

M. F.

C15H22N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31738

Database

Data ID

M. W.

278.34678

CAS

158985-25-2

Similarity

N/A

ID: 812037

tert-butyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate

$$$$

M. F.

C15H22N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31740

Database

Data ID

M. W.

278.34678

CAS

313657-51-1

Similarity

N/A

ID: 812038

1-[3-(benzyloxy)phenyl]piperazine

$$$$

M. F.

C17H20N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31741

Database

Data ID

M. W.

268.3535

CAS

756751-75-4

Similarity

N/A

ID: 812039

1-[2-(benzyloxy)phenyl]piperazine

$$$$

M. F.

C17H20N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31742

Database

Data ID

M. W.

268.3535

CAS

96221-84-0

Similarity

N/A

ID: 812040

4-amino-1,5-dimethyl-1H-pyrazole-3-carboxamide

$$$$

M. F.

C6H10N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31747

Database

Data ID

M. W.

154.1698

CAS

1017781-13-3

Similarity

N/A

ID: 812041

4-amino-5-ethyl-1-methyl-1H-pyrazole-3-carboxamide

$$$$

M. F.

C7H12N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31749

Database

Data ID

M. W.

168.19638

CAS

247583-80-8

Similarity

N/A

ID: 812042

3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazol-5-amine

$$$$

M. F.

C13H16N4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31751

Database

Data ID

M. W.

260.29174

CAS

251658-55-6

Similarity

N/A

ID: 812043

3-tert-butyl-1-(3,5-dichlorophenyl)-1H-pyrazol-5-amine

$$$$

M. F.

C13H15Cl2N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31753

Database

Data ID

M. W.

284.1843

CAS

1017781-15-5

Similarity

N/A

ID: 812044

1,5-diphenyl-1H-pyrazole-3-carbaldehyde

$$$$

M. F.

C16H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31754

Database

Data ID

M. W.

248.27928

CAS

112009-28-6

Similarity

N/A

ID: 812045

3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-amine

$$$$

M. F.

C13H15Cl2N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31755

Database

Data ID

M. W.

284.1843

CAS

1017781-20-2

Similarity

N/A

ID: 812046

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

$$$$

M. F.

C9H14N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31756

Database

Data ID

M. W.

182.21966

CAS

165744-14-9

Similarity

N/A

ID: 812047

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

$$$$

M. F.

C10H16N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31757

Database

Data ID

M. W.

196.24624

CAS

247583-69-3

Similarity

N/A

ID: 812048

3-tert-butyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine

$$$$

M. F.

C14H19N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31758

Database

Data ID

M. W.

245.32016

CAS

862368-61-4

Similarity

N/A

ID: 812049

1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-amine

$$$$

M. F.

C13H16BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31760

Database

Data ID

M. W.

294.19024

CAS

895042-78-1

Similarity

N/A

ID: 812050

1-(3-bromophenyl)-3-tert-butyl-1H-pyrazol-5-amine

$$$$

M. F.

C13H16BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O31761

Database

Data ID

M. W.

294.19024

CAS

872171-45-4

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