Chembase list of 866358 unique molecular structures

2-{4-[(methylamino)methyl]piperidin-1-yl}-1-phenylethan-1-ol

$$$$ Data

M. F.

C15H24N2O

Suppliers	Catalog Number
Enamine	EN300-71017

Database	Data ID
PubChem	54592606

M. W.

248.36386

CAS

Similarity

N/A

ID: 271352

N-methyl-1-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-amine

$$$$ Data

M. F.

C11H20N4

Suppliers	Catalog Number
Enamine	EN300-71019

Database	Data ID
PubChem	50989058

M. W.

208.3033

CAS

Similarity

N/A

ID: 271353

2-(4-aminopiperidin-1-yl)ethan-1-ol

$$$$ Data

M. F.

C7H16N2O

Suppliers	Catalog Number
ChemBridge	4030032
Enamine	EN300-71022

Database	Data ID
PubChem	15733445

M. W.

144.21474

CAS

89850-72-6

Similarity

N/A

ID: 271354

1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine

$$$$ Data

M. F.

C9H16N4O

Suppliers	Catalog Number
Enamine	EN300-71045

Database	Data ID
PubChem	54592607

M. W.

196.24954

CAS

Similarity

N/A

ID: 271355

1-{1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine

$$$$ Data

M. F.

C11H20N4O

Suppliers	Catalog Number
Enamine	EN300-71046

Database	Data ID
PubChem	54592608

M. W.

224.3027

CAS

Similarity

N/A

ID: 271356

1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine

$$$$ Data

M. F.

C10H18N4O

Suppliers	Catalog Number
Enamine	EN300-71047

Database	Data ID
PubChem	54592609

M. W.

210.27612

CAS

Similarity

N/A

ID: 271357

1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine

$$$$ Data

M. F.

C11H18N4O

Suppliers	Catalog Number
Enamine	EN300-71048

Database	Data ID
PubChem	54592610

M. W.

222.28682

CAS

Similarity

N/A

ID: 271358

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine

$$$$ Data

M. F.

C11H20N4

Suppliers	Catalog Number
ChemBridge	3002362
Enamine	EN300-71050

Database	Data ID
PubChem	6485353

M. W.

208.3033

CAS

957514-00-0

Similarity

N/A

ID: 271359

2-[4-(piperazin-1-ylmethyl)-1H-pyrazol-1-yl]ethan-1-ol

$$$$ Data

M. F.

C10H18N4O

Suppliers	Catalog Number
Enamine	EN300-71051

Database	Data ID
PubChem	54168674

M. W.

210.27612

CAS

Similarity

N/A

ID: 271360

1-[(1-tert-butyl-1H-pyrazol-4-yl)methyl]piperazine

$$$$ Data

M. F.

C12H22N4

Suppliers	Catalog Number
Enamine	EN300-71052

Database	Data ID
PubChem	54592611

M. W.

222.32988

CAS

Similarity

N/A

ID: 271361

1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Enamine	EN300-71057

Database	Data ID
PubChem	43144032

M. W.

194.27672

CAS

Similarity

N/A

ID: 271362

1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C11H20N4

Suppliers	Catalog Number
Enamine	EN300-71058

Database	Data ID
PubChem	54592612

M. W.

208.3033

CAS

Similarity

N/A

ID: 271363

1-[(5-chloro-1-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C10H17ClN4

Suppliers	Catalog Number
Enamine	EN300-71059

Database	Data ID
PubChem	43144075

M. W.

228.72178

CAS

Similarity

N/A

ID: 271364

1-{[1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1,4-diazepane

$$$$ Data

M. F.

C12H22N4

Suppliers	Catalog Number
Enamine	EN300-71060

Database	Data ID
PubChem	54592613

M. W.

222.32988

CAS

Similarity

N/A

ID: 271365

1-[(dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C11H19N3O

Suppliers	Catalog Number
Enamine	EN300-71061

Database	Data ID
PubChem	53532524

M. W.

209.28806

CAS

Similarity

N/A

ID: 271366

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C10H17N3S

Suppliers	Catalog Number
Enamine	EN300-71064

Database	Data ID
PubChem	28781808

M. W.

211.32708

CAS

Similarity

N/A

ID: 271367

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C11H19N3S

Suppliers	Catalog Number
Enamine	EN300-71065

Database	Data ID
PubChem	43162457

M. W.

225.35366

CAS

Similarity

N/A

ID: 271368

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C9H16N4O

Suppliers	Catalog Number
Enamine	EN300-71068

Database	Data ID
PubChem	28781824

M. W.

196.24954

CAS

Similarity

N/A

ID: 271369

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C10H18N4O

Suppliers	Catalog Number
Enamine	EN300-71069

Database	Data ID
PubChem	52317084

M. W.

210.27612

CAS

Similarity

N/A

ID: 271370

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C11H18N4O

Suppliers	Catalog Number
Enamine	EN300-71070

Database	Data ID
PubChem	54592614

M. W.

222.28682

CAS

Similarity

N/A

ID: 271371

2-[methyl(piperidin-4-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
ChemBridge	4020718
Enamine	EN300-71086

Database	Data ID
PubChem	28064309

M. W.

158.24132

CAS

864710-80-5

Similarity

N/A

ID: 271372

4-methoxy-6-methyl-2-(piperazin-1-yl)pyrimidine

$$$$ Data

M. F.

C10H16N4O

Suppliers	Catalog Number
Enamine	EN300-71090

Database	Data ID
PubChem	23368043

M. W.

208.26024

CAS

Similarity

N/A

ID: 271373

4-ethoxy-2-(piperazin-1-yl)pyrimidine

$$$$ Data

M. F.

C10H16N4O

Suppliers	Catalog Number
Enamine	EN300-71091

Database	Data ID
PubChem	17855548

M. W.

208.26024

CAS

Similarity

N/A

ID: 271374

4-ethoxy-6-methyl-2-(piperazin-1-yl)pyrimidine

$$$$ Data

M. F.

C11H18N4O

Suppliers	Catalog Number
Enamine	EN300-71092

Database	Data ID
PubChem	54592615

M. W.

222.28682

CAS

Similarity

N/A

ID: 271375

3,3-dimethyl-1-(piperazin-1-yl)butan-2-ol

$$$$ Data

M. F.

C10H22N2O

Suppliers	Catalog Number
Enamine	EN300-71095

Database	Data ID
PubChem	4266981

M. W.

186.29448

CAS

Similarity

N/A

ID: 271376

1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Enamine	EN300-71097

Database	Data ID
PubChem	28781837

M. W.

194.27672

CAS

Similarity

N/A

ID: 271377

1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C11H20N4

Suppliers	Catalog Number
Enamine	EN300-71098

Database	Data ID
PubChem	54592616

M. W.

208.3033

CAS

Similarity

N/A

ID: 271378

1-[(1-propyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane

$$$$ Data

M. F.

C12H22N4

Suppliers	Catalog Number
Enamine	EN300-71099

Database	Data ID
PubChem	54592617

M. W.

222.32988

CAS

Similarity

N/A

ID: 271379

1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1,4-diazepane

$$$$ Data

M. F.

C12H22N4

Suppliers	Catalog Number
Enamine	EN300-71102

Database	Data ID
PubChem	54592618

M. W.

222.32988

CAS

Similarity

N/A

ID: 271380

1-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]piperazine

$$$$ Data

M. F.

C11H19ClN4

Suppliers	Catalog Number
Enamine	EN300-71104

Database	Data ID
PubChem	54592619

M. W.

242.74836

CAS

Similarity

N/A

ID: 271381

5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-6-amine

$$$$ Data

M. F.

C6H10N4

Suppliers	Catalog Number
Enamine	EN300-71106

Database	Data ID
PubChem	54592620

M. W.

138.1704

CAS

Similarity

N/A

ID: 271382

2-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-6-amine

$$$$ Data

M. F.

C8H14N4

Suppliers	Catalog Number
Enamine	EN300-71107

Database	Data ID
PubChem	54592621

M. W.

166.22356

CAS

Similarity

N/A

ID: 271383

2-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-6-amine

$$$$ Data

M. F.

C9H16N4

Suppliers	Catalog Number
Enamine	EN300-71108

Database	Data ID
PubChem	54592622

M. W.

180.25014

CAS

Similarity

N/A

ID: 271384

methyl[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]amine

$$$$ Data

M. F.

C11H18N2OS

Suppliers	Catalog Number
Enamine	EN300-71109

Database	Data ID
PubChem	22692514

M. W.

226.33842

CAS

Similarity

N/A

ID: 271385

2-(5-methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine

$$$$ Data

M. F.

C11H18N2OS

Suppliers	Catalog Number
Enamine	EN300-71110

Database	Data ID
PubChem	43146823

M. W.

226.33842

CAS

Similarity

N/A

ID: 271386

2-(2-methylmorpholin-4-yl)-2-(thiophen-2-yl)ethan-1-amine

$$$$ Data

M. F.

C11H18N2OS

Suppliers	Catalog Number
Enamine	EN300-71111

Database	Data ID
PubChem	16790727

M. W.

226.33842

CAS

Similarity

N/A

ID: 271387

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

$$$$ Data

M. F.

C10H17N3

Suppliers	Catalog Number
Enamine	EN300-71120

Database	Data ID
PubChem	63554068

M. W.

179.26208

CAS

Similarity

N/A

ID: 271388

3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

$$$$ Data

M. F.

C7H12N4

Suppliers	Catalog Number
Enamine	EN300-71127

Database	Data ID
PubChem	45088313

M. W.

152.19698

CAS

Similarity

N/A

ID: 271389

3-ethyl-1-[2-(1H-pyrazol-1-yl)ethyl]piperazine

$$$$ Data

M. F.

C11H20N4

Suppliers	Catalog Number
Enamine	EN300-71130

Database	Data ID
PubChem	54592623

M. W.

208.3033

CAS

Similarity

N/A

ID: 271390

2-(methanesulfonylmethyl)pyrrolidine

$$$$ Data

M. F.

C6H13NO2S

Suppliers	Catalog Number
Enamine	EN300-71137

Database	Data ID
PubChem	22275221

M. W.

163.23792

CAS

Similarity

N/A

ID: 271391

1-(4-methyl-1H-pyrazol-1-yl)propan-2-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
Enamine	EN300-71142

Database	Data ID
PubChem	19620824

M. W.

139.19822

CAS

Similarity

N/A

ID: 271392

dimethyl({[6-(piperazin-1-yl)pyridin-3-yl]methyl})amine

$$$$ Data

M. F.

C12H20N4

Suppliers	Catalog Number
Enamine	EN300-71145

Database	Data ID
PubChem	54592624

M. W.

220.314

CAS

Similarity

N/A

ID: 271393

3-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Enamine	EN300-71151

Database	Data ID
PubChem	54592625

M. W.

194.27672

CAS

Similarity

N/A

ID: 271394

3,5-dimethyl-1-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole

$$$$ Data

M. F.

C9H16N4

Suppliers	Catalog Number
Enamine	EN300-71152

Database	Data ID
PubChem	54592626

M. W.

180.25014

CAS

Similarity

N/A

ID: 271395

1-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole

$$$$ Data

M. F.

C7H12N4

Suppliers	Catalog Number
Enamine	EN300-71153

Database	Data ID
PubChem	25248699

M. W.

152.19698

CAS

Similarity

N/A

ID: 271396

2-(1H-pyrazol-1-ylmethyl)piperidine

$$$$ Data

M. F.

C9H15N3

Suppliers	Catalog Number
Enamine	EN300-71154

Database	Data ID
PubChem	54592627

M. W.

165.2355

CAS

Similarity

N/A

ID: 271397

2-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine

$$$$ Data

M. F.

C11H19N3

Suppliers	Catalog Number
Enamine	EN300-71155

Database	Data ID
PubChem	54592628

M. W.

193.28866

CAS

Similarity

N/A

ID: 271398

2-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine

$$$$ Data

M. F.

C10H17N3

Suppliers	Catalog Number
Enamine	EN300-71156

Database	Data ID
PubChem	54592629

M. W.

179.26208

CAS

Similarity

N/A

ID: 271399

4-methyl-1-(pyrrolidin-2-ylmethyl)-1H-pyrazole

$$$$ Data

M. F.

C9H15N3

Suppliers	Catalog Number
Enamine	EN300-71158

Database	Data ID
PubChem	54592630

M. W.

165.2355

CAS

Similarity

N/A

ID: 271400

2-(1H-1,2,4-triazol-1-ylmethyl)piperidine

$$$$ Data

M. F.

C8H14N4

Suppliers	Catalog Number
Enamine	EN300-71160

Database	Data ID
PubChem	54592631

M. W.

166.22356

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