Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H14N2S

Suppliers	Catalog Number
Life Chemicals	F2147-0818

Database	Data ID
PubChem	13048186

M. W.

182.28586

CAS

85803-52-7

Similarity

N/A

ID: 116952

1-ethyl-3-(thiophen-2-yl)piperazine

$$$$ Data

M. F.

C10H16N2S

Suppliers	Catalog Number
Life Chemicals	F2147-0819

Database	Data ID
PubChem	66523635

M. W.

196.31244

CAS

Similarity

N/A

ID: 116953

1-cyclopropyl-3-(thiophen-2-yl)piperazine

$$$$ Data

M. F.

C11H16N2S

Suppliers	Catalog Number
Life Chemicals	F2147-0820

Database	Data ID
PubChem	66523636

M. W.

208.32314

CAS

Similarity

N/A

ID: 116954

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

$$$$ Data

M. F.

C12H17FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0821

Database	Data ID
PubChem	66523637

M. W.

208.2751832

CAS

Similarity

N/A

ID: 116955

1-benzyl-3-(thiophen-2-yl)piperazine

$$$$ Data

M. F.

C15H18N2S

Suppliers	Catalog Number
Life Chemicals	F2147-0822

Database	Data ID
PubChem	66523638

M. W.

258.38182

CAS

Similarity

N/A

ID: 116956

2-benzylpiperazine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Life Chemicals	F2147-0823
Bide Pharmatech	BD35069
A&J Pharmtech	AJA-O29207

Database	Data ID
PubChem	559033

M. W.

176.25814

CAS

84477-71-4

Similarity

N/A

ID: 116957

3-benzyl-1-methylpiperazine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Life Chemicals	F2147-0824

Database	Data ID
PubChem	15175836

M. W.

190.28472

CAS

Similarity

N/A

ID: 116958

3-benzyl-1-ethylpiperazine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0825

Database	Data ID
PubChem	64833101

M. W.

204.3113

CAS

Similarity

N/A

ID: 116959

3-benzyl-1-cyclopropylpiperazine

$$$$ Data

M. F.

C14H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0826

Database	Data ID
PubChem	52992061

M. W.

216.322

CAS

Similarity

N/A

ID: 116960

1-methyl-3-(propan-2-yl)piperazine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Life Chemicals	F2147-0829
Enamine	EN300-82343

Database	Data ID
PubChem	53621934

M. W.

142.24192

CAS

Similarity

N/A

ID: 116961

1-ethyl-3-(propan-2-yl)piperazine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0830

Database	Data ID
PubChem	64832805

M. W.

156.2685

CAS

Similarity

N/A

ID: 116962

1-cyclopropyl-3-(propan-2-yl)piperazine

$$$$ Data

M. F.

C10H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0831

Database	Data ID
PubChem	64926591

M. W.

168.2792

CAS

Similarity

N/A

ID: 116963

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

$$$$ Data

M. F.

C13H17FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0832

Database	Data ID
PubChem	66523639

M. W.

220.2858832

CAS

Similarity

N/A

ID: 116964

1-benzyl-3-(propan-2-yl)piperazine

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Life Chemicals	F2147-0833

Database	Data ID
PubChem	22277326

M. W.

218.33788

CAS

Similarity

N/A

ID: 116965

2-(2-methylpropyl)piperazine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Life Chemicals	F2147-0834
A&J Pharmtech	AJA-O25910

Database	Data ID
PubChem	13553921

M. W.

142.24192

CAS

84477-68-9

Similarity

N/A

ID: 116966

1-methyl-3-(2-methylpropyl)piperazine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0835

Database	Data ID
PubChem	64833232

M. W.

156.2685

CAS

Similarity

N/A

ID: 116967

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

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
Life Chemicals	F2147-0836

Database	Data ID
PubChem	64833431

M. W.

170.29508

CAS

Similarity

N/A

ID: 116968

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

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
Life Chemicals	F2147-0837

Database	Data ID
PubChem	64924019

M. W.

182.30578

CAS

Similarity

N/A

ID: 116969

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

$$$$ Data

M. F.

C15H24N2

Suppliers	Catalog Number
Life Chemicals	F2147-0838

Database	Data ID
PubChem	17750128

M. W.

232.36446

CAS

Similarity

N/A

ID: 116970

6,9-diazaspiro[4.5]decane

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Life Chemicals	F2147-0839
A&J Pharmtech	AJA-O25921

Database	Data ID
PubChem	18975279

M. W.

140.22604

CAS

177-19-5

Similarity

N/A

ID: 116971

9-methyl-6,9-diazaspiro[4.5]decane

$$$$ Data

M. F.

C9H18N2

Suppliers	Catalog Number
Life Chemicals	F2147-0840

Database	Data ID
PubChem	52416411

M. W.

154.25262

CAS

Similarity

N/A

ID: 116972

9-ethyl-6,9-diazaspiro[4.5]decane

$$$$ Data

M. F.

C10H20N2

Suppliers	Catalog Number
Life Chemicals	F2147-0841

Database	Data ID
PubChem	52416413

M. W.

168.2792

CAS

Similarity

N/A

ID: 116973

9-benzyl-6,9-diazaspiro[4.5]decane

$$$$ Data

M. F.

C15H22N2

Suppliers	Catalog Number
Life Chemicals	F2147-0842

Database	Data ID
PubChem	52416415

M. W.

230.34858

CAS

Similarity

N/A

ID: 116974

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

$$$$ Data

M. F.

C17H19FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0843

Database	Data ID
PubChem	66523643

M. W.

270.3445632

CAS

Similarity

N/A

ID: 116975

4-(aminomethyl)-1-methylpyrrolidin-2-one

$$$$ Data

M. F.

C6H12N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00012
ChemBridge	4003814
Life Chemicals	F2147-0844 F2147-0884

Database	Data ID
PubChem	45791032

M. W.

128.17228

CAS

933723-27-4

Similarity

N/A

ID: 116976

4-(aminomethyl)-1-ethylpyrrolidin-2-one

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
ChemBridge	4002895
Life Chemicals	F2147-0845

Database	Data ID
PubChem	45791024

M. W.

142.19886

CAS

936940-31-7

Similarity

N/A

ID: 116977

4-(aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
ChemBridge	4002985
Life Chemicals	F2147-0846

Database	Data ID
PubChem	44827665

M. W.

156.22544

CAS

Similarity

N/A

ID: 116978

4-(aminomethyl)-1-cyclopropylpyrrolidin-2-one

$$$$ Data

M. F.

C8H14N2O

Suppliers	Catalog Number
ChemBridge	4010752
Life Chemicals	F2147-0847
Enamine	EN300-128972

Database	Data ID
PubChem	45791059

M. W.

154.20956

CAS

936940-46-4

Similarity

N/A

ID: 116979

4-(aminomethyl)-1-(2-methoxyethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C8H16N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR01080
ChemBridge	4002897
Life Chemicals	F2147-0848

Database	Data ID
PubChem	45791025

M. W.

172.22484

CAS

936940-05-5

Similarity

N/A

ID: 116980

4-(aminomethyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

$$$$ Data

M. F.

C9H19N3O

Suppliers	Catalog Number
Life Chemicals	F2147-0849

Database	Data ID
PubChem	56686929

M. W.

185.26666

CAS

Similarity

N/A

ID: 116981

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

$$$$ Data

M. F.

C12H17FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0850

Database	Data ID
PubChem	13787451

M. W.

208.2751832

CAS

Similarity

N/A

ID: 116982

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

$$$$ Data

M. F.

C13H17FN2

Suppliers	Catalog Number
Life Chemicals	F2147-0851

Database	Data ID
PubChem	66523651

M. W.

220.2858832

CAS

Similarity

N/A

ID: 116983

4-phenylpiperidin-2-one

$$$$ Data

M. F.

C11H13NO

Suppliers	Catalog Number
Life Chemicals	F2147-0852

Database	Data ID
PubChem	19817787

M. W.

175.22702

CAS

Similarity

N/A

ID: 116984

2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine

$$$$ Data

M. F.

C7H5ClN4O

Suppliers	Catalog Number
Life Chemicals	F2147-0854

Database	Data ID
PubChem	43622109

M. W.

196.5938

CAS

Similarity

N/A

ID: 116985

2-(chloromethyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C7H5ClN2OS

Suppliers	Catalog Number
Life Chemicals	F2147-0861
Enamine	EN300-06802

Database	Data ID
PubChem	2402634

M. W.

200.6454

CAS

727374-87-0

Similarity

N/A

ID: 116986

2-(chloromethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C9H6ClFN2O

Suppliers	Catalog Number
Life Chemicals	F2147-0862
Enamine	EN300-08137
A&J Pharmtech	AJA-O32393

Database	Data ID
PubChem	2113325

M. W.

212.6081432

CAS

350672-14-9

Similarity

N/A

ID: 116987

2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C7H5ClN2O2

Suppliers	Catalog Number
ChemBridge	4035821
Life Chemicals	F2147-0863
Enamine	EN300-10486

Database	Data ID
PubChem	3689757

M. W.

184.5798

CAS

727374-86-9

Similarity

N/A

ID: 116988

[4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methanamine

$$$$ Data

M. F.

C9H9ClN4

Suppliers	Catalog Number
Life Chemicals	F2147-0864

Database	Data ID
PubChem	52416425

M. W.

208.64756

CAS

Similarity

N/A

ID: 116989

[4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methanamine

$$$$ Data

M. F.

C9H9FN4

Suppliers	Catalog Number
Life Chemicals	F2147-0865

Database	Data ID
PubChem	52416427

M. W.

192.1929632

CAS

Similarity

N/A

ID: 116990

[4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]methanamine

$$$$ Data

M. F.

C9H8Cl2N4

Suppliers	Catalog Number
Life Chemicals	F2147-0866

Database	Data ID
PubChem	52416429

M. W.

243.09262

CAS

Similarity

N/A

ID: 116991

[4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methanamine

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Life Chemicals	F2147-0867

Database	Data ID
PubChem	52416431

M. W.

188.22908

CAS

Similarity

N/A

ID: 116992

[4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methanamine

$$$$ Data

M. F.

C10H12N4O

Suppliers	Catalog Number
Life Chemicals	F2147-0868

Database	Data ID
PubChem	52416433

M. W.

204.22848

CAS

Similarity

N/A

ID: 116993

(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)methanamine

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Life Chemicals	F2147-0869

Database	Data ID
PubChem	52172326

M. W.

188.22908

CAS

Similarity

N/A

ID: 116994

[4-phenyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methanamine

$$$$ Data

M. F.

C10H9F3N4

Suppliers	Catalog Number
Life Chemicals	F2147-0870

Database	Data ID
PubChem	52416435

M. W.

242.2004696

CAS

Similarity

N/A

ID: 116995

(4-phenyl-4H-1,2,4-triazol-3-yl)methanamine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Life Chemicals	F2147-0871
Enamine	EN300-36020

Database	Data ID
PubChem	24701192

M. W.

174.2025

CAS

Similarity

N/A

ID: 116996

4-(2-methoxyethoxy)phenol

$$$$ Data

M. F.

C9H12O3

Suppliers	Catalog Number
Life Chemicals	F2147-0872
Bide Pharmatech	BD28923
A&J Pharmtech	AJA-O31676

Database	Data ID
PubChem	13313561

M. W.

168.18978

CAS

51980-60-0

Similarity

N/A

ID: 116997

1-methyl-5-oxopyrrolidine-3-carbonitrile

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
Life Chemicals	F2147-0873
Enamine	EN300-108527

Database	Data ID
PubChem	18941128

M. W.

124.14052

CAS

172261-37-9

Similarity

N/A

ID: 116998

1-methyl-3-(piperidin-4-yl)imidazolidin-2-one

$$$$ Data

M. F.

C9H17N3O

Suppliers	Catalog Number
Life Chemicals	F2147-0874

Database	Data ID
PubChem	23463798

M. W.

183.25078

CAS

Similarity

N/A

ID: 116999

4-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
Life Chemicals	F2147-0875

Database	Data ID
PubChem	20116386

M. W.

220.22458

CAS

Similarity

N/A

ID: 117000

4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzoic acid

$$$$ Data

M. F.

C12H14N2O3

Suppliers	Catalog Number
Life Chemicals	F2147-0876

Database	Data ID
PubChem	52353413

M. W.

234.25116

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