Chembase list of 866358 unique molecular structures

ID: 19351

$$$$ Data More

M. F.

C6H12O2

Suppliers	Catalog Number
ChemBridge	4027028
Matrix Scientific	021645
Enamine	EN300-44031

Database	Data ID
PubChem	85769

M. W.

116.15828

CAS

14774-36-8

Similarity

N/A

ID: 19352

2-(4-hydroxypiperidin-1-yl)benzaldehyde hydrochloride

$$$$ Data

M. F.

C12H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	021648
Bide Pharmatech	BD159432
A&J Pharmtech	AJA-O1806

Database	Data ID
PubChem	45036886

M. W.

241.71394

CAS

1185302-49-1

Similarity

N/A

ID: 19353

2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid

$$$$ Data

M. F.

C6H7NO4

Suppliers	Catalog Number
Matrix Scientific	021649
Enamine	EN300-12929

Database	Data ID
PubChem	4962137

M. W.

157.12408

CAS

Similarity

N/A

ID: 19354

4-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}butanoic acid

$$$$ Data

M. F.

C11H16N2O4

Suppliers	Catalog Number
Matrix Scientific	021650
Enamine	EN300-13172

Database	Data ID
PubChem	4962271

M. W.

240.25574

CAS

Similarity

N/A

ID: 19355

3-(3,5-dimethyl-1,1-dioxo-2H-1$l^{6},2,6-thiadiazin-4-yl)propanoic acid

$$$$ Data

M. F.

C8H12N2O4S

Suppliers	Catalog Number
Matrix Scientific	021651
Enamine	EN300-14945

Database	Data ID
PubChem	7131243

M. W.

232.25688

CAS

Similarity

N/A

ID: 19356

[2-amino-1-(3-methoxyphenyl)ethyl]dimethylamine

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Matrix Scientific	021652
Enamine	EN300-10658

Database	Data ID
PubChem	3248471

M. W.

194.27342

CAS

855715-34-3

Similarity

N/A

ID: 19357

2-[2-(1-ethylpiperidin-2-yl)ethoxy]aniline

$$$$ Data

M. F.

C15H24N2O

Suppliers	Catalog Number
Matrix Scientific	021653

Database	Data ID
PubChem	18524870

M. W.

248.36386

CAS

Similarity

N/A

ID: 19358

4-[2-(1-ethylpiperidin-2-yl)ethoxy]aniline

$$$$ Data

M. F.

C15H24N2O

Suppliers	Catalog Number
Matrix Scientific	021654

Database	Data ID
PubChem	20109511

M. W.

248.36386

CAS

Similarity

N/A

ID: 19359

[2-amino-1-(4-methoxyphenyl)ethyl]diethylamine

$$$$ Data

M. F.

C13H22N2O

Suppliers	Catalog Number
Matrix Scientific	021655

Database	Data ID
PubChem	16790245

M. W.

222.32658

CAS

Similarity

N/A

ID: 19360

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

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
Matrix Scientific	021656

Database	Data ID
PubChem	17606050

M. W.

248.3208

CAS

Similarity

N/A

ID: 19361

1H-imidazole-4-sulfonyl chloride

$$$$ Data More

M. F.

C3H3ClN2O2S

Suppliers	Catalog Number
ChemBridge	3020263
Matrix Scientific	021657
Life Chemicals	F2158-0574

Database	Data ID
PubChem	18961164

M. W.

166.58612

CAS

58767-51-4

Similarity

N/A

ID: 19362

4-[3-(morpholin-4-yl)propoxy]benzaldehyde

$$$$ Data

M. F.

C14H19NO3

Suppliers	Catalog Number
ChemBridge	7743622
Matrix Scientific	021658

Database	Data ID
PubChem	13177676

M. W.

249.30556

CAS

71760-44-6

Similarity

N/A

ID: 19363

2-[3-(morpholin-4-yl)propoxy]benzaldehyde

$$$$ Data

M. F.

C14H19NO3

Suppliers	Catalog Number
ChemBridge	7737927
Matrix Scientific	021659

Database	Data ID
PubChem	13795260

M. W.

249.30556

CAS

72108-02-2

Similarity

N/A

ID: 19364

1-(2-aminopropoxy)-3,5-dimethylbenzene

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Matrix Scientific	021661

Database	Data ID
PubChem	5305257

M. W.

179.25878

CAS

Similarity

N/A

ID: 19365

1-(3,5-dimethylphenyl)cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C14H18O2

Suppliers	Catalog Number
Matrix Scientific	021662
Enamine	EN300-86930

Database	Data ID
PubChem	16228480

M. W.

218.29152

CAS

Similarity

N/A

ID: 19366

[1-(2-methylpiperidin-1-yl)cyclopentyl]methanamine

$$$$ Data

M. F.

C12H24N2

Suppliers	Catalog Number
Matrix Scientific	021663

Database	Data ID
PubChem	24711835

M. W.

196.33236

CAS

Similarity

N/A

ID: 19367

4-[2-amino-1-(morpholin-4-yl)ethyl]-N,N-dimethylaniline

$$$$ Data

M. F.

C14H23N3O

Suppliers	Catalog Number
Matrix Scientific	021664

Database	Data ID
PubChem	16642844

M. W.

249.35192

CAS

Similarity

N/A

ID: 19368

3-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

$$$$ Data

M. F.

C14H17N3O2

Suppliers	Catalog Number
Matrix Scientific	021665

Database	Data ID
PubChem	10038185

M. W.

259.30368

CAS

Similarity

N/A

ID: 19369

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H15NO4

Suppliers	Catalog Number
ChemBridge	4024760
Matrix Scientific	021666

Database	Data ID
PubChem	590894

M. W.

249.2625

CAS

352208-42-5

Similarity

N/A

ID: 19370

4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C12H17N3OS

Suppliers	Catalog Number
Matrix Scientific	021667

Database	Data ID
PubChem	2701302

M. W.

251.34788

CAS

Similarity

N/A

ID: 19371

2-phenylpyrrolidine

$$$$ Data More

M. F.

C10H13N

Suppliers	Catalog Number
Matrix Scientific	021668
Apollo Scientific	OR12503
Enamine	EN300-26453

Database	Data ID
PubChem	261892

M. W.

147.21692

CAS

1006-64-0

Similarity

N/A

ID: 19372

2-(4-methylphenyl)pyrrolidine

$$$$ Data

M. F.

C11H15N

Suppliers	Catalog Number
Matrix Scientific	021670
Enamine	EN300-29849
Bide Pharmatech	BD21859

Database	Data ID
PubChem	3563134

M. W.

161.2435

CAS

62506-76-7

Similarity

N/A

ID: 19373

3-(naphthalen-1-yl)piperidine hydrochloride

$$$$ Data

M. F.

C15H18ClN

Suppliers	Catalog Number
Matrix Scientific	021672

Database	Data ID
PubChem	45073832

M. W.

247.76312

CAS

Similarity

N/A

ID: 19374

3-(4-fluorophenyl)piperidine hydrochloride

$$$$ Data

M. F.

C11H15ClFN

Suppliers	Catalog Number
Matrix Scientific	021673

Database	Data ID
PubChem	45073812

M. W.

215.6949032

CAS

1106940-94-6

Similarity

N/A

ID: 19375

3-(3-fluorophenyl)piperidine hydrochloride

$$$$ Data

M. F.

C11H15ClFN

Suppliers	Catalog Number
Matrix Scientific	021674

Database	Data ID
PubChem	19095626

M. W.

215.6949032

CAS

100240-20-8

Similarity

N/A

ID: 19376

3-(4-methylphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Matrix Scientific	021675

Database	Data ID
PubChem	45073817

M. W.

211.73102

CAS

65367-98-8

Similarity

N/A

ID: 19377

3-(2-fluorophenyl)piperidine hydrochloride

$$$$ Data

M. F.

C11H15ClFN

Suppliers	Catalog Number
Matrix Scientific	021676

Database	Data ID
PubChem	45073813

M. W.

215.6949032

CAS

1106940-90-2

Similarity

N/A

ID: 19378

3-(3-methylphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Matrix Scientific	021677

Database	Data ID
PubChem	45073818

M. W.

211.73102

CAS

1184977-99-8

Similarity

N/A

ID: 19379

3-(2-methoxyphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
Matrix Scientific	021678

Database	Data ID
PubChem	45073839

M. W.

227.73042

CAS

19725-12-3

Similarity

N/A

ID: 19380

3-(3-methoxyphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
Matrix Scientific	021679

Database	Data ID
PubChem	19987255

M. W.

227.73042

CAS

19725-18-9

Similarity

N/A

ID: 19381

2-phenylpiperidine hydrochloride

$$$$ Data

M. F.

C11H16ClN

Suppliers	Catalog Number
Matrix Scientific	021680

Database	Data ID
PubChem	17814274

M. W.

197.70444

CAS

3466-80-6

Similarity

N/A

ID: 19382

2-(2-fluorophenyl)piperidine hydrochloride

$$$$ Data

M. F.

C11H15ClFN

Suppliers	Catalog Number
Matrix Scientific	021681

Database	Data ID
PubChem	45073845

M. W.

215.6949032

CAS

Similarity

N/A

ID: 19383

2-(4-fluorophenyl)piperidine

$$$$ Data

M. F.

C11H14FN

Suppliers	Catalog Number
ChemBridge	4002376
Matrix Scientific	021682

Database	Data ID
PubChem	3686126

M. W.

179.2339632

CAS

383128-03-8

Similarity

N/A

ID: 19384

2-[3-(trifluoromethyl)phenyl]piperidine

$$$$ Data

M. F.

C12H14F3N

Suppliers	Catalog Number
Matrix Scientific	021683

Database	Data ID
PubChem	4214991

M. W.

229.2414696

CAS

383128-75-4

Similarity

N/A

ID: 19385

2-(4-methylphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Matrix Scientific	021684

Database	Data ID
PubChem	45073847

M. W.

211.73102

CAS

Similarity

N/A

ID: 19386

2-(4-ethoxyphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C13H20ClNO

Suppliers	Catalog Number
Matrix Scientific	021685

Database	Data ID
PubChem	46735540

M. W.

241.757

CAS

Similarity

N/A

ID: 19387

2-(4-ethylphenyl)piperidine

$$$$ Data

M. F.

C13H19N

Suppliers	Catalog Number
Matrix Scientific	021687

Database	Data ID
PubChem	3551123

M. W.

189.29666

CAS

Similarity

N/A

ID: 19388

2-(2-methoxyphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
Matrix Scientific	021688

Database	Data ID
PubChem	45073860

M. W.

227.73042

CAS

Similarity

N/A

ID: 19389

2-(2,4-dimethoxyphenyl)piperidine

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Matrix Scientific	021689

Database	Data ID
PubChem	3556724

M. W.

221.29546

CAS

Similarity

N/A

ID: 19390

2-(2,5-dimethoxyphenyl)piperidine

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Matrix Scientific	021690

Database	Data ID
PubChem	4364645

M. W.

221.29546

CAS

Similarity

N/A

ID: 19391

2-(2-methylphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClN

Suppliers	Catalog Number
Matrix Scientific	021691

Database	Data ID
PubChem	17389626

M. W.

211.73102

CAS

Similarity

N/A

ID: 19392

2-(4-methoxyphenyl)piperidine hydrochloride

$$$$ Data

M. F.

C12H18ClNO

Suppliers	Catalog Number
Matrix Scientific	021692
Apollo Scientific	OR13008

Database	Data ID
PubChem	44118728

M. W.

227.73042

CAS

341526-79-2

Similarity

N/A

ID: 19393

4-(2-methoxyphenyl)aniline hydrochloride

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Matrix Scientific	021693
Apollo Scientific	OR7449

Database	Data ID
PubChem	44119726

M. W.

235.70936

CAS

824414-16-6

Similarity

N/A

ID: 19394

2-(3-methylphenyl)aniline

$$$$ Data

M. F.

C13H13N

Suppliers	Catalog Number
Matrix Scientific	021694

Database	Data ID
PubChem	1510818

M. W.

183.24902

CAS

Similarity

N/A

ID: 19395

2-(4-methylphenyl)aniline

$$$$ Data

M. F.

C13H13N

Suppliers	Catalog Number
Matrix Scientific	021695

Database	Data ID
PubChem	1510820

M. W.

183.24902

CAS

Similarity

N/A

ID: 19396

2-(4-methoxyphenyl)aniline

$$$$ Data

M. F.

C13H13NO

Suppliers	Catalog Number
ChemBridge	4002083
Matrix Scientific	021696
A&J Pharmtech	AJA-O34857

Database	Data ID
PubChem	2759562

M. W.

199.24842

CAS

38089-03-1

Similarity

N/A

ID: 19397

2-(4-fluorophenyl)aniline

$$$$ Data

M. F.

C12H10FN

Suppliers	Catalog Number
Matrix Scientific	021697
A&J Pharmtech	AJA-O34858

Database	Data ID
PubChem	2758975

M. W.

187.2129032

CAS

321-63-1

Similarity

N/A

ID: 19398

2-(2-fluorophenyl)aniline

$$$$ Data

M. F.

C12H10FN

Suppliers	Catalog Number
Matrix Scientific	021698

Database	Data ID
PubChem	15500927

M. W.

187.2129032

CAS

Similarity

N/A

ID: 19399

2-[4-(trifluoromethyl)phenyl]aniline

$$$$ Data

M. F.

C13H10F3N

Suppliers	Catalog Number
Matrix Scientific	021699

Database	Data ID
PubChem	2782707

M. W.

237.2204096

CAS

Similarity

N/A

ID: 19400

2-[3-(trifluoromethyl)phenyl]aniline

$$$$ Data

M. F.

C13H10F3N

Suppliers	Catalog Number
Matrix Scientific	021700

Database	Data ID
PubChem	2782706

M. W.

237.2204096

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