Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H8Br2O

Suppliers	Catalog Number
Life Chemicals	F2147-0740
Enamine	EN300-79074

Database	Data ID
PubChem	75464

M. W.

243.92442

CAS

2402-83-7

Similarity

N/A

ID: 116902

4-(aminomethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C5H10N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0742

Database	Data ID
PubChem	19757933

M. W.

114.1457

CAS

676627-00-2

Similarity

N/A

ID: 116903

[4-(hydroxymethyl)oxan-4-yl]methanol

$$$$ Data

M. F.

C7H14O3

Suppliers	Catalog Number
Life Chemicals	F2147-0751

Database	Data ID
PubChem	19858285

M. W.

146.18426

CAS

Similarity

N/A

ID: 116904

4-(4-methoxyphenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Life Chemicals	F2147-0752
Enamine	EN300-62006

Database	Data ID
PubChem	4656224

M. W.

191.22642

CAS

103859-86-5

Similarity

N/A

ID: 116905

4-(4-hydroxyphenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Life Chemicals	F2147-0753

Database	Data ID
PubChem	13763434

M. W.

177.19984

CAS

Similarity

N/A

ID: 116906

4-(4-chlorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H10ClNO

Suppliers	Catalog Number
Life Chemicals	F2147-0754

Database	Data ID
PubChem	185490

M. W.

195.6455

CAS

22518-27-0

Similarity

N/A

ID: 116907

4-(4-bromophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H10BrNO

Suppliers	Catalog Number
Life Chemicals	F2147-0755

Database	Data ID
PubChem	49657889

M. W.

240.0965

CAS

28311-23-1

Similarity

N/A

ID: 116908

4-(thiophen-2-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C8H9NOS

Suppliers	Catalog Number
Life Chemicals	F2147-0757

Database	Data ID
PubChem	11159539

M. W.

167.22816

CAS

88221-12-9

Similarity

N/A

ID: 116909

4-(pyridin-3-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0764
TRC	P991790
Enamine	EN300-121811

Database	Data ID
PubChem	49657890

M. W.

162.1885

CAS

55656-99-0

Similarity

N/A

ID: 116910

1-ethyl-4-(hydroxymethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
ChemBridge	4034970
Life Chemicals	F2147-0772
Enamine	EN300-82068

Database	Data ID
PubChem	49657891

M. W.

143.18362

CAS

1227465-53-3

Similarity

N/A

ID: 116911

1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Life Chemicals	F2147-0773
Enamine	EN300-101773

Database	Data ID
PubChem	24275513

M. W.

155.19432

CAS

1017456-88-0

Similarity

N/A

ID: 116912

1-ethyl-3-phenylpiperazine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Life Chemicals	F2147-0777

Database	Data ID
PubChem	12229101

M. W.

190.28472

CAS

Similarity

N/A

ID: 116913

1-benzyl-3-(2-fluorophenyl)piperazine

$$$$ Data

M. F.

C17H19FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0778

Database	Data ID
PubChem	66523640

M. W.

270.3445632

CAS

Similarity

N/A

ID: 116914

3-(4-chlorophenyl)-1-ethylpiperazine

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0779

Database	Data ID
PubChem	13787455

M. W.

224.72978

CAS

Similarity

N/A

ID: 116915

3-(4-chlorophenyl)-1-cyclopropylpiperazine

$$$$ Data

M. F.

C13H17ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0780

Database	Data ID
PubChem	66523641

M. W.

236.74048

CAS

Similarity

N/A

ID: 116916

1-benzyl-3-(4-chlorophenyl)piperazine

$$$$ Data

M. F.

C17H19ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0781

Database	Data ID
PubChem	66523642

M. W.

286.79916

CAS

Similarity

N/A

ID: 116917

3-(3-chlorophenyl)-1-ethylpiperazine

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0782

Database	Data ID
PubChem	13787449

M. W.

224.72978

CAS

Similarity

N/A

ID: 116918

3-(3-chlorophenyl)-1-cyclopropylpiperazine

$$$$ Data

M. F.

C13H17ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0783

Database	Data ID
PubChem	66523644

M. W.

236.74048

CAS

Similarity

N/A

ID: 116919

1-benzyl-3-(3-chlorophenyl)piperazine

$$$$ Data

M. F.

C17H19ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0784

Database	Data ID
PubChem	66523645

M. W.

286.79916

CAS

Similarity

N/A

ID: 116920

3-(2-chlorophenyl)-1-ethylpiperazine

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0785

Database	Data ID
PubChem	13787453

M. W.

224.72978

CAS

Similarity

N/A

ID: 116921

3-(2-chlorophenyl)-1-cyclopropylpiperazine

$$$$ Data

M. F.

C13H17ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0786

Database	Data ID
PubChem	66523646

M. W.

236.74048

CAS

Similarity

N/A

ID: 116922

1-benzyl-3-(2-chlorophenyl)piperazine

$$$$ Data

M. F.

C17H19ClN2

Suppliers	Catalog Number
Life Chemicals	F2147-0787

Database	Data ID
PubChem	66523647

M. W.

286.79916

CAS

Similarity

N/A

ID: 116923

1-ethyl-3-(4-fluorophenyl)piperazine

$$$$ Data

M. F.

C12H17FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0788

Database	Data ID
PubChem	66523648

M. W.

208.2751832

CAS

Similarity

N/A

ID: 116924

3-(4-bromophenyl)-1-ethylpiperazine

$$$$ Data

M. F.

C12H17BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0789

Database	Data ID
PubChem	66523649

M. W.

269.18078

CAS

Similarity

N/A

ID: 116925

3-(4-bromophenyl)-1-cyclopropylpiperazine

$$$$ Data

M. F.

C13H17BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0790

Database	Data ID
PubChem	66523650

M. W.

281.19148

CAS

Similarity

N/A

ID: 116926

1-benzyl-3-(4-bromophenyl)piperazine

$$$$ Data

M. F.

C17H19BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0791

Database	Data ID
PubChem	66523652

M. W.

331.25016

CAS

Similarity

N/A

ID: 116927

3-(3-bromophenyl)-1-ethylpiperazine

$$$$ Data

M. F.

C12H17BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0792

Database	Data ID
PubChem	66523653

M. W.

269.18078

CAS

Similarity

N/A

ID: 116928

3-(3-bromophenyl)-1-cyclopropylpiperazine

$$$$ Data

M. F.

C13H17BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0793

Database	Data ID
PubChem	66523654

M. W.

281.19148

CAS

Similarity

N/A

ID: 116929

1-benzyl-3-(3-bromophenyl)piperazine

$$$$ Data

M. F.

C17H19BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0794

Database	Data ID
PubChem	66523655

M. W.

331.25016

CAS

Similarity

N/A

ID: 116930

3-(2-bromophenyl)-1-ethylpiperazine

$$$$ Data

M. F.

C12H17BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0795

Database	Data ID
PubChem	19861008

M. W.

269.18078

CAS

Similarity

N/A

ID: 116931

3-(2-bromophenyl)-1-cyclopropylpiperazine

$$$$ Data

M. F.

C13H17BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0796

Database	Data ID
PubChem	66523656

M. W.

281.19148

CAS

Similarity

N/A

ID: 116932

1-benzyl-3-(2-bromophenyl)piperazine

$$$$ Data

M. F.

C17H19BrN2

Suppliers	Catalog Number
Life Chemicals	F2147-0797

Database	Data ID
PubChem	66523657

M. W.

331.25016

CAS

Similarity

N/A

ID: 116933

1-ethyl-3-(4-methylphenyl)piperazine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0798

Database	Data ID
PubChem	66523658

M. W.

204.3113

CAS

Similarity

N/A

ID: 116934

1-cyclopropyl-3-(4-fluorophenyl)piperazine

$$$$ Data

M. F.

C13H17FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0799

Database	Data ID
PubChem	66523659

M. W.

220.2858832

CAS

Similarity

N/A

ID: 116935

1-cyclopropyl-3-(4-methylphenyl)piperazine

$$$$ Data

M. F.

C14H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0800

Database	Data ID
PubChem	66523660

M. W.

216.322

CAS

Similarity

N/A

ID: 116936

1-benzyl-3-(4-methylphenyl)piperazine

$$$$ Data

M. F.

C18H22N2

Suppliers	Catalog Number
Life Chemicals	F2147-0801

Database	Data ID
PubChem	66523661

M. W.

266.38068

CAS

Similarity

N/A

ID: 116937

1-ethyl-3-(3-methylphenyl)piperazine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0802

Database	Data ID
PubChem	66523662

M. W.

204.3113

CAS

Similarity

N/A

ID: 116938

1-cyclopropyl-3-(3-methylphenyl)piperazine

$$$$ Data

M. F.

C14H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0803

Database	Data ID
PubChem	66523663

M. W.

216.322

CAS

Similarity

N/A

ID: 116939

1-benzyl-3-(3-methylphenyl)piperazine

$$$$ Data

M. F.

C18H22N2

Suppliers	Catalog Number
Life Chemicals	F2147-0804

Database	Data ID
PubChem	66523664

M. W.

266.38068

CAS

Similarity

N/A

ID: 116940

1-ethyl-3-(2-methylphenyl)piperazine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0805

Database	Data ID
PubChem	66523665

M. W.

204.3113

CAS

Similarity

N/A

ID: 116941

1-cyclopropyl-3-(2-methylphenyl)piperazine

$$$$ Data

M. F.

C14H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0806

Database	Data ID
PubChem	66523666

M. W.

216.322

CAS

Similarity

N/A

ID: 116942

1-benzyl-3-(2-methylphenyl)piperazine

$$$$ Data

M. F.

C18H22N2

Suppliers	Catalog Number
Life Chemicals	F2147-0807

Database	Data ID
PubChem	66523667

M. W.

266.38068

CAS

Similarity

N/A

ID: 116943

1-ethyl-3-(4-methoxyphenyl)piperazine

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0808

Database	Data ID
PubChem	66523668

M. W.

220.3107

CAS

Similarity

N/A

ID: 116944

1-cyclopropyl-3-(4-methoxyphenyl)piperazine

$$$$ Data

M. F.

C14H20N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0809

Database	Data ID
PubChem	66523669

M. W.

232.3214

CAS

Similarity

N/A

ID: 116945

1-benzyl-3-(4-fluorophenyl)piperazine

$$$$ Data

M. F.

C17H19FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0810

Database	Data ID
PubChem	66523670

M. W.

270.3445632

CAS

Similarity

N/A

ID: 116946

1-benzyl-3-(4-methoxyphenyl)piperazine

$$$$ Data

M. F.

C18H22N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0811

Database	Data ID
PubChem	66523671

M. W.

282.38008

CAS

Similarity

N/A

ID: 116947

1-ethyl-3-(3-methoxyphenyl)piperazine

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0812

Database	Data ID
PubChem	66523672

M. W.

220.3107

CAS

Similarity

N/A

ID: 116948

1-cyclopropyl-3-(3-methoxyphenyl)piperazine

$$$$ Data

M. F.

C14H20N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0813

Database	Data ID
PubChem	66523673

M. W.

232.3214

CAS

Similarity

N/A

ID: 116949

1-benzyl-3-(3-methoxyphenyl)piperazine

$$$$ Data

M. F.

C18H22N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0814

Database	Data ID
PubChem	66523674

M. W.

282.38008

CAS

Similarity

N/A

ID: 116950

1-cyclopropyl-3-phenylpiperazine

$$$$ Data

M. F.

C13H18N2

Suppliers	Catalog Number
Life Chemicals	F2147-0815

Database	Data ID
PubChem	52992060

M. W.

202.29542

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