Chembase list of 866358 unique molecular structures

1-benzyl-2,4,5,6-tetramethylpiperidin-3-one

$$$$ Data

M. F.

C16H23NO

Suppliers	Catalog Number
Enamine	EN300-78904

Database	Data ID
PubChem	54593766

M. W.

245.35992

CAS

Similarity

N/A

ID: 275602

1-benzyl-5,6-dimethylpiperidin-3-one

$$$$ Data

M. F.

C14H19NO

Suppliers	Catalog Number
Enamine	EN300-78905

Database	Data ID
PubChem	54593767

M. W.

217.30676

CAS

Similarity

N/A

ID: 275603

1-benzyl-6-methylpiperidin-3-one

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Enamine	EN300-78906

Database	Data ID
PubChem	434564

M. W.

203.28018

CAS

Similarity

N/A

ID: 275604

1-benzyl-6-methylpiperidin-3-amine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Enamine	EN300-78907

Database	Data ID
PubChem	54593768

M. W.

204.3113

CAS

Similarity

N/A

ID: 275605

tert-butyl N-(1-benzyl-6-methylpiperidin-3-yl)carbamate

$$$$ Data

M. F.

C18H28N2O2

Suppliers	Catalog Number
Enamine	EN300-78908

Database	Data ID
PubChem	54593769

M. W.

304.42712

CAS

Similarity

N/A

ID: 275606

tert-butyl N-(1-benzyl-5,6-dimethylpiperidin-3-yl)carbamate

$$$$ Data

M. F.

C19H30N2O2

Suppliers	Catalog Number
Enamine	EN300-78909

Database	Data ID
PubChem	54593770

M. W.

318.4537

CAS

Similarity

N/A

ID: 275607

1-benzyl-5,6-dimethylpiperidin-3-amine

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Enamine	EN300-78910

Database	Data ID
PubChem	54593771

M. W.

218.33788

CAS

Similarity

N/A

ID: 275608

tert-butyl N-(1-benzyl-5-methylpiperidin-3-yl)carbamate

$$$$ Data

M. F.

C18H28N2O2

Suppliers	Catalog Number
Enamine	EN300-78911

Database	Data ID
PubChem	20792120

M. W.

304.42712

CAS

Similarity

N/A

ID: 275609

1-benzyl-5-methylpiperidin-3-amine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Enamine	EN300-78912

Database	Data ID
PubChem	54593772

M. W.

204.3113

CAS

Similarity

N/A

ID: 275610

tert-butyl N-(1-benzyl-4,5,6-trimethylpiperidin-3-yl)carbamate

$$$$ Data

M. F.

C20H32N2O2

Suppliers	Catalog Number
Enamine	EN300-78913

Database	Data ID
PubChem	54593773

M. W.

332.48028

CAS

Similarity

N/A

ID: 275611

tert-butyl N-(1-benzyl-2,4,5,6-tetramethylpiperidin-3-yl)carbamate

$$$$ Data

M. F.

C21H34N2O2

Suppliers	Catalog Number
Enamine	EN300-78915

Database	Data ID
PubChem	54593774

M. W.

346.50686

CAS

Similarity

N/A

ID: 275612

1-benzyl-2,4,5,6-tetramethylpiperidin-3-amine

$$$$ Data

M. F.

C16H26N2

Suppliers	Catalog Number
Enamine	EN300-78916

Database	Data ID
PubChem	54593775

M. W.

246.39104

CAS

Similarity

N/A

ID: 275613

tert-butyl N-{3-[4-(benzyloxy)phenyl]prop-2-yn-1-yl}carbamate

$$$$ Data

M. F.

C21H23NO3

Suppliers	Catalog Number
Enamine	EN300-78917

Database	Data ID
PubChem	54593776

M. W.

337.41222

CAS

Similarity

N/A

ID: 275614

2-(4-chloro-5-hydroxy-2-methylphenoxy)acetic acid

$$$$ Data

M. F.

C9H9ClO4

Suppliers	Catalog Number
Enamine	EN300-78918

Database	Data ID
PubChem	54593777

M. W.

216.61836

CAS

Similarity

N/A

ID: 275615

N-ethyl-4-hydroxybenzamide

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Enamine	EN300-78919

Database	Data ID
PubChem	14746059

M. W.

165.18914

CAS

Similarity

N/A

ID: 275616

4-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzaldehyde

$$$$ Data

M. F.

C16H15ClO2

Suppliers	Catalog Number
Enamine	EN300-78920

Database	Data ID
PubChem	28825698

M. W.

274.7421

CAS

Similarity

N/A

ID: 275617

1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H12F3NO3

Suppliers	Catalog Number
Enamine	EN300-78921

Database	Data ID
PubChem	54593778

M. W.

287.2344896

CAS

Similarity

N/A

ID: 275618

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

$$$$ Data

M. F.

C7H11N3O3

Suppliers	Catalog Number
Enamine	EN300-78922

Database	Data ID
PubChem	54593779

M. W.

185.18054

CAS

Similarity

N/A

ID: 275619

2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

$$$$ Data

M. F.

C13H16N2O3

Suppliers	Catalog Number
Enamine	EN300-78923

Database	Data ID
PubChem	54593780

M. W.

248.27774

CAS

Similarity

N/A

ID: 275620

2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

$$$$ Data

M. F.

C12H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-78926

Database	Data ID
PubChem	54593781

M. W.

252.69682

CAS

Similarity

N/A

ID: 275621

1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid

$$$$ Data

M. F.

C14H14F3NO3

Suppliers	Catalog Number
Enamine	EN300-78928

Database	Data ID
PubChem	54593782

M. W.

301.2610696

CAS

Similarity

N/A

ID: 275622

6-methyl-N-(piperidin-4-yl)pyridin-2-amine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Enamine	EN300-78929

Database	Data ID
PubChem	54593783

M. W.

191.27278

CAS

Similarity

N/A

ID: 275623

[2-(3,4-dimethoxyphenyl)ethyl](2-methylpropyl)amine

$$$$ Data

M. F.

C14H23NO2

Suppliers	Catalog Number
Enamine	EN300-78933

Database	Data ID
PubChem	12411009

M. W.

237.33792

CAS

Similarity

N/A

ID: 275624

[2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Enamine	EN300-78934

Database	Data ID
PubChem	23345213

M. W.

221.29546

CAS

Similarity

N/A

ID: 275625

2-(benzyloxy)-6-fluoroaniline

$$$$ Data

M. F.

C13H12FNO

Suppliers	Catalog Number
Enamine	EN300-78935

Database	Data ID
PubChem	15219197

M. W.

217.2388832

CAS

Similarity

N/A

ID: 275626

1-[2-(morpholin-4-yl)ethyl]piperidin-3-amine

$$$$ Data

M. F.

C11H23N3O

Suppliers	Catalog Number
Enamine	EN300-78936

Database	Data ID
PubChem	54593784

M. W.

213.31982

CAS

Similarity

N/A

ID: 275627

bis(cyclopropylmethyl)amine

$$$$ Data

M. F.

C8H15N

Suppliers	Catalog Number
Enamine	EN300-78937

Database	Data ID
PubChem	15284719

M. W.

125.2114

CAS

Similarity

N/A

ID: 275628

N,N-dimethyl-1-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl}formamide

$$$$ Data

M. F.

C13H15N3OS

Suppliers	Catalog Number
Enamine	EN300-78944

Database	Data ID
PubChem	54593785

M. W.

261.3427

CAS

Similarity

N/A

ID: 275629

2-chloro-2-(4-cyanophenyl)acetamide

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Enamine	EN300-78945

Database	Data ID
PubChem	54593786

M. W.

194.61768

CAS

Similarity

N/A

ID: 275630

3H,4H-[1,3]diazino[4,5-d]pyrimidine-4-thione

$$$$ Data

M. F.

C6H4N4S

Suppliers	Catalog Number
Enamine	EN300-78946

Database	Data ID
PubChem	4271731

M. W.

164.18776

CAS

Similarity

N/A

ID: 275631

1-methylpiperidine-4-sulfonamide hydrochloride

$$$$ Data

M. F.

C6H15ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-78947

Database	Data ID
PubChem	54593787

M. W.

214.7135

CAS

Similarity

N/A

ID: 275632

2-(pyridin-2-yloxy)aniline

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Enamine	EN300-78954

Database	Data ID
PubChem	13150572

M. W.

186.2099

CAS

Similarity

N/A

ID: 275633

3-iodo-6-methylpyridazine

$$$$ Data

M. F.

C5H5IN2

Suppliers	Catalog Number
Enamine	EN300-78958

Database	Data ID
PubChem	12680258

M. W.

220.01107

CAS

Similarity

N/A

ID: 275634

3-(2-methylphenyl)but-2-enoic acid

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Enamine	EN300-78964

Database	Data ID
PubChem	6106909

M. W.

176.21178

CAS

Similarity

N/A

ID: 275635

4-chloro-3-(methanesulfinylmethyl)aniline

$$$$ Data

M. F.

C8H10ClNOS

Suppliers	Catalog Number
Enamine	EN300-78966

Database	Data ID
PubChem	54593789

M. W.

203.6891

CAS

Similarity

N/A

ID: 275636

2,3-difluoro-5-nitrobenzoic acid

$$$$ Data

M. F.

C7H3F2NO4

Suppliers	Catalog Number
Enamine	EN300-78968

Database	Data ID
PubChem	54593790

M. W.

203.0998264

CAS

Similarity

N/A

ID: 275637

3-[(benzenesulfinyl)methyl]aniline

$$$$ Data

M. F.

C13H13NOS

Suppliers	Catalog Number
Enamine	EN300-78970

Database	Data ID
PubChem	54593791

M. W.

231.31342

CAS

Similarity

N/A

ID: 275638

3-amino-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Enamine	EN300-78971

Database	Data ID
PubChem	54593792

M. W.

220.26764

CAS

Similarity

N/A

ID: 275639

N-(3-methyl-2-oxobutyl)-4-nitrobenzamide

$$$$ Data

M. F.

C12H14N2O4

Suppliers	Catalog Number
Enamine	EN300-78972

Database	Data ID
PubChem	54593793

M. W.

250.25056

CAS

Similarity

N/A

ID: 275640

tert-butyl N-[(3R,4S)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate

$$$$ Data

M. F.

C16H21F3N2O2

Suppliers	Catalog Number
Enamine	EN300-78973

Database	Data ID
PubChem	54593794

M. W.

330.3453496

CAS

Similarity

N/A

ID: 275641

4-[(methylamino)methyl]cyclohexan-1-amine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Enamine	EN300-78975

Database	Data ID
PubChem	44228180

M. W.

142.24192

CAS

Similarity

N/A

ID: 275642

ethyl 5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C9H15N3O2

Suppliers	Catalog Number
Enamine	EN300-78976

Database	Data ID
PubChem	22762155

M. W.

197.2343

CAS

Similarity

N/A

ID: 275643

2-(1-isothiocyanatopropyl)thiophene

$$$$ Data

M. F.

C8H9NS2

Suppliers	Catalog Number
Enamine	EN300-78977

Database	Data ID
PubChem	54593795

M. W.

183.29376

CAS

Similarity

N/A

ID: 275644

1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N5

Suppliers	Catalog Number
Enamine	EN300-78978

Database	Data ID
PubChem	54593796

M. W.

189.21714

CAS

Similarity

N/A

ID: 275645

(2-methoxyethyl)hydrazine; oxalic acid

$$$$ Data

M. F.

C5H12N2O5

Suppliers	Catalog Number
Enamine	EN300-78979

Database	Data ID
PubChem	54593797

M. W.

180.15918

CAS

Similarity

N/A

ID: 275646

2-(4-methylphenyl)-1-(pyridin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Enamine	EN300-78980

Database	Data ID
PubChem	22300075

M. W.

212.29024

CAS

Similarity

N/A

ID: 275647

1-ethyl-2-methylpiperidin-4-amine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Enamine	EN300-78981

Database	Data ID
PubChem	54593798

M. W.

142.24192

CAS

Similarity

N/A

ID: 275648

8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid hydrochloride

$$$$ Data

M. F.

C15H20ClNO2

Suppliers	Catalog Number
Enamine	EN300-78982

Database	Data ID
PubChem	54593799

M. W.

281.7778

CAS

Similarity

N/A

ID: 275649

2-(2-formyl-5-methoxyphenoxy)acetic acid

$$$$ Data

M. F.

C10H10O5

Suppliers	Catalog Number
Enamine	EN300-78984

Database	Data ID
PubChem	16495629

M. W.

210.1834

CAS

Similarity

N/A

ID: 275650

2-(2,3-dihydro-1H-inden-1-yl)acetic acid

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
ChemBridge	4016075
Enamine	EN300-78985
A&J Pharmtech	AJA-O38930

Database	Data ID
PubChem	96501

M. W.

176.21178

CAS

38425-65-9

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