Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C13H8F2O2

Suppliers	Catalog Number
Alfa Aesar	H50858

Database	Data ID
PubChem	42553325

M. W.

234.1982264

CAS

Similarity

N/A

ID: 297652

1-(3-chloropyridin-2-yl)piperazine

$$$$ Data

M. F.

C9H12ClN3

Suppliers	Catalog Number
ChemBridge	4045142
Alfa Aesar	H50859

Database	Data ID
PubChem	11412944

M. W.

197.66468

CAS

87394-55-6

Similarity

N/A

ID: 297653

N-[6-(piperazin-1-yl)pyridazin-3-yl]methanesulfonamide

$$$$ Data

M. F.

C9H15N5O2S

Suppliers	Catalog Number
Alfa Aesar	H50861

Database	Data ID
PubChem	44721354

M. W.

257.3127

CAS

Similarity

N/A

ID: 297654

2-(piperidin-4-yloxy)-N-propylacetamide

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Alfa Aesar	H50865

Database	Data ID
PubChem	24208844

M. W.

200.278

CAS

902836-22-0

Similarity

N/A

ID: 297655

methyl 3-(4-formylphenoxymethyl)benzoate

$$$$ Data

M. F.

C16H14O4

Suppliers	Catalog Number
Alfa Aesar	H50868

Database	Data ID
PubChem	23411189

M. W.

270.27996

CAS

225942-73-4

Similarity

N/A

ID: 297656

methyl 3-(3-cyanophenyl)prop-2-enoate

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Alfa Aesar	H50872

Database	Data ID
PubChem	13415097

M. W.

187.19466

CAS

52116-81-1

Similarity

N/A

ID: 297657

4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidine

$$$$ Data

M. F.

C9H15N3O

Suppliers	Catalog Number
Alfa Aesar	H50874

Database	Data ID
PubChem	24208846

M. W.

181.2349

CAS

912761-48-9

Similarity

N/A

ID: 297658

4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
Alfa Aesar	H50875

Database	Data ID
PubChem	24208847

M. W.

195.26148

CAS

902837-03-0

Similarity

N/A

ID: 297659

1-(6-methylpyridin-2-yl)-1,4-diazepane

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Alfa Aesar	H50876

Database	Data ID
PubChem	24208848

M. W.

191.27278

CAS

880361-95-5

Similarity

N/A

ID: 297660

2-{3-[(3-fluorophenyl)methoxy]phenyl}acetic acid

$$$$ Data

M. F.

C15H13FO3

Suppliers	Catalog Number
Alfa Aesar	H50877

Database	Data ID
PubChem	11974816

M. W.

260.2603232

CAS

Similarity

N/A

ID: 297661

2-[4-(3-fluorophenoxymethyl)phenyl]acetic acid

$$$$ Data

M. F.

C15H13FO3

Suppliers	Catalog Number
Alfa Aesar	H50878

Database	Data ID
PubChem	24208849

M. W.

260.2603232

CAS

Similarity

N/A

ID: 297662

3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidine

$$$$ Data

M. F.

C9H15N3O

Suppliers	Catalog Number
Alfa Aesar	H50879

Database	Data ID
PubChem	19886311

M. W.

181.2349

CAS

139269-06-0

Similarity

N/A

ID: 297663

3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
Alfa Aesar	H50884

Database	Data ID
PubChem	24208850

M. W.

195.26148

CAS

902837-18-7

Similarity

N/A

ID: 297664

3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
ChemBridge	4012132
Alfa Aesar	H50885

Database	Data ID
PubChem	24208851

M. W.

195.26148

CAS

902837-19-8

Similarity

N/A

ID: 297665

4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Alfa Aesar	H50886

Database	Data ID
PubChem	42553350

M. W.

218.2087

CAS

Similarity

N/A

ID: 297666

(E)-N'-hydroxybutimidamide

$$$$ Data

M. F.

C4H10N2O

Suppliers	Catalog Number
Alfa Aesar	H50888

Database	Data ID
PubChem	5712087

M. W.

102.135

CAS

27620-10-6

Similarity

N/A

ID: 297667

tert-butyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

$$$$ Data

M. F.

C15H25N3O3

Suppliers	Catalog Number
Alfa Aesar	H50890

Database	Data ID
PubChem	44721356

M. W.

295.3773

CAS

902837-23-4

Similarity

N/A

ID: 297668

tert-butyl 3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

$$$$ Data

M. F.

C15H25N3O3

Suppliers	Catalog Number
Alfa Aesar	H50891

Database	Data ID
PubChem	44721357

M. W.

295.3773

CAS

902837-24-5

Similarity

N/A

ID: 297669

(E)-N'-hydroxy-2-methylpropimidamide

$$$$ Data

M. F.

C4H10N2O

Suppliers	Catalog Number
Alfa Aesar	H50892

Database	Data ID
PubChem	5712089

M. W.

102.135

CAS

35613-84-4

Similarity

N/A

ID: 297670

1-(6-methoxypyridin-2-yl)piperazine

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
Alfa Aesar	H50895
A&J Pharmtech	AJA-O30171

Database	Data ID
PubChem	12200470

M. W.

193.2456

CAS

51047-54-2

Similarity

N/A

ID: 297671

2-(4-phenylphenyl)acetic acid; formaldehyde

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Alfa Aesar	H50902

Database	Data ID
PubChem	73995220

M. W.

242.26986

CAS

6547-53-1

Similarity

N/A

ID: 297672

N-ethyl-2-(piperidin-4-yloxy)acetamide

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Alfa Aesar	H50906

Database	Data ID
PubChem	20298099

M. W.

186.25142

CAS

521074-81-7

Similarity

N/A

ID: 297673

methyl 2-(3-aminopropoxy)benzoate hydrochloride

$$$$ Data

M. F.

C11H16ClNO3

Suppliers	Catalog Number
Alfa Aesar	H50909

Database	Data ID
PubChem	13998422

M. W.

245.70264

CAS

Similarity

N/A

ID: 297674

2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
Alfa Aesar	H50913

Database	Data ID
PubChem	24208854

M. W.

184.2786

CAS

Similarity

N/A

ID: 297675

3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one

$$$$ Data

M. F.

C11H22N2O

Suppliers	Catalog Number
Alfa Aesar	H50914

Database	Data ID
PubChem	24208855

M. W.

198.30518

CAS

Similarity

N/A

ID: 297676

1-[4-(methylamino)piperidin-1-yl]propan-1-one

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Alfa Aesar	H50915

Database	Data ID
PubChem	24208856

M. W.

170.25202

CAS

Similarity

N/A

ID: 297677

2-(piperidin-3-yloxy)benzonitrile

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Alfa Aesar	H50918

Database	Data ID
PubChem	24208857

M. W.

202.25236

CAS

902836-51-5

Similarity

N/A

ID: 297678

3-(2-methoxy-5-methylphenoxy)piperidine

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Alfa Aesar	H50921

Database	Data ID
PubChem	24208860

M. W.

221.29546

CAS

Similarity

N/A

ID: 297679

N-tert-butyl-2-(piperidin-3-yloxy)acetamide

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Alfa Aesar	H50923

Database	Data ID
PubChem	24208862

M. W.

214.30458

CAS

902836-73-1

Similarity

N/A

ID: 297680

N,N-diethyl-2-(piperidin-3-yloxy)acetamide

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Alfa Aesar	H50924

Database	Data ID
PubChem	24208863

M. W.

214.30458

CAS

902836-74-2

Similarity

N/A

ID: 297681

N-ethyl-2-(piperidin-3-yloxy)acetamide

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Alfa Aesar	H50925

Database	Data ID
PubChem	24208864

M. W.

186.25142

CAS

902836-75-3

Similarity

N/A

ID: 297682

N-ethyl-N-methyl-2-(piperidin-3-yloxy)acetamide

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Alfa Aesar	H50926

Database	Data ID
PubChem	24208865

M. W.

200.278

CAS

902836-76-4

Similarity

N/A

ID: 297683

N-ethyl-N-methyl-2-(piperazin-1-yl)pyridine-3-carboxamide

$$$$ Data

M. F.

C13H20N4O

Suppliers	Catalog Number
Alfa Aesar	H50927

Database	Data ID
PubChem	24208866

M. W.

248.3241

CAS

912761-62-7

Similarity

N/A

ID: 297684

1-[3-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperazine

$$$$ Data

M. F.

C14H20N4O

Suppliers	Catalog Number
Alfa Aesar	H50930

Database	Data ID
PubChem	24208867

M. W.

260.3348

CAS

902836-06-0

Similarity

N/A

ID: 297685

tert-butyl 4-{[ethyl(methyl)carbamoyl]methoxy}piperidine-1-carboxylate

$$$$ Data

M. F.

C15H28N2O4

Suppliers	Catalog Number
Alfa Aesar	H50932

Database	Data ID
PubChem	42553408

M. W.

300.39382

CAS

Similarity

N/A

ID: 297686

N-ethyl-N-methyl-2-(piperidin-4-yloxy)acetamide

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Alfa Aesar	H50933

Database	Data ID
PubChem	43309836

M. W.

200.278

CAS

Similarity

N/A

ID: 297687

N-tert-butyl-2-(piperidin-4-yloxy)acetamide

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Alfa Aesar	H50934

Database	Data ID
PubChem	42553410

M. W.

214.30458

CAS

Similarity

N/A

ID: 297688

3-(4-chlorophenoxy)piperidine

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Alfa Aesar	H50935

Database	Data ID
PubChem	3865138

M. W.

211.68796

CAS

384346-27-4

Similarity

N/A

ID: 297689

2-chloro-4-(piperidin-3-yloxy)benzonitrile

$$$$ Data

M. F.

C12H13ClN2O

Suppliers	Catalog Number
Alfa Aesar	H50938

Database	Data ID
PubChem	24212029

M. W.

236.69742

CAS

902836-92-4

Similarity

N/A

ID: 297690

3-(piperidin-3-yloxy)benzonitrile

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Alfa Aesar	H50939

Database	Data ID
PubChem	22309128

M. W.

202.25236

CAS

902836-93-5

Similarity

N/A

ID: 297691

4-[2-(propan-2-yloxy)phenoxy]piperidine

$$$$ Data

M. F.

C14H21NO2

Suppliers	Catalog Number
Alfa Aesar	H50942

Database	Data ID
PubChem	42553426

M. W.

235.32204

CAS

902836-24-2

Similarity

N/A

ID: 297692

4-(4-chlorophenoxy)piperidine

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
ChemBridge	4004477
Alfa Aesar	H50944
A&J Pharmtech	AJA-O33447

Database	Data ID
PubChem	5199889

M. W.

211.68796

CAS

97839-99-1

Similarity

N/A

ID: 297693

ethyl 3-formylbenzoate

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Alfa Aesar	H50945

Database	Data ID
PubChem	11084437

M. W.

178.1846

CAS

33745-47-0

Similarity

N/A

ID: 297694

(1-butylpiperidin-4-yl)methanamine

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
Alfa Aesar	H50947
A&J Pharmtech	AJA-O16881

Database	Data ID
PubChem	10442133

M. W.

170.29508

CAS

65017-57-4

Similarity

N/A

ID: 297695

N-methyl-2-(piperidin-4-yloxy)benzamide

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Alfa Aesar	H50949

Database	Data ID
PubChem	42553429

M. W.

234.29422

CAS

Similarity

N/A

ID: 297696

4-(3-methylphenoxy)piperidine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
ChemBridge	4004488
Alfa Aesar	H50950

Database	Data ID
PubChem	17196730

M. W.

191.26948

CAS

63843-46-9

Similarity

N/A

ID: 297697

1-[6-(2-methylpropoxy)pyridin-2-yl]piperazine

$$$$ Data

M. F.

C13H21N3O

Suppliers	Catalog Number
Alfa Aesar	H50953

Database	Data ID
PubChem	13795744

M. W.

235.32534

CAS

Similarity

N/A

ID: 297698

1-(6-butoxypyridin-2-yl)piperazine

$$$$ Data

M. F.

C13H21N3O

Suppliers	Catalog Number
Alfa Aesar	H50954

Database	Data ID
PubChem	28054514

M. W.

235.32534

CAS

902837-07-4

Similarity

N/A

ID: 297699

N,N-dimethyl-2-(piperidin-4-yloxy)benzamide

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
Alfa Aesar	H50955

Database	Data ID
PubChem	44721291

M. W.

248.3208

CAS

902837-08-5

Similarity

N/A

ID: 297700

4-(piperidin-4-yloxy)benzonitrile

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Alfa Aesar	H50958

Database	Data ID
PubChem	11241109

M. W.

202.25236

CAS

224178-67-0

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