CAS 39742-60-4|1-(2-phenylethyl)piperidin-4-one|N-phenethyl-4-piperidinone|1-(2-Phenethyl)piperidin-4-one|1-(β-PHENETHYL)-4-PIPERIDONE|<i>N</i>-Phenylethyl-4-piperidinone|N-Phenethyl-4-piperidi...

General Information

Structure

Molecular Formula

C₁₃H₁₇NO

Molecular Mass

203.28018

Exact Mass

203.13101417

Charge

InChI

InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2

InChIKey

YDJXNYNKKXZBMP-UHFFFAOYSA-N

Canonic Smiles

O=C1CCN(CC1)CCc1ccccc1

Isomeric Smiles

N1(CCc2ccccc2)CCC(=O)CC1

Calculated Properties

JChem

Acid pKa

17.836277

H Acceptors

H Donor

LogD (pH = 5.5)

0.6813907

LogD (pH = 7.4)

2.042063

Log P

2.1862671

Molar Refractivity

61.8311

Polarizability

24.027908

Polar Surface Area

20.31

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-(2-phenylethyl)piperidin-4-one

IUPAC Traditional name

N-phenethyl-4-piperidinone

Synonyms

1-(2-Phenethyl)piperidin-4-one1-(β-PHENETHYL)-4-PIPERIDONEN-Phenylethyl-4-piperidinoneN-Phenethyl-4-piperidinone1-苯乙基-4-哌啶酮1-Phenethyl-4-piperidone1-(2-Phenylethyl)-4-piperidoneN-(2-苯乙基)-4-哌啶酮N-Phenethylpiperidin-4-oneN-(2-苯乙基)-4-哌啶酮N-Phenethyl-4-piperidone1-Phenethyl-4-piperidone 1-(2-Phenethyl)-4-piperidinone Hydrochloride1-(2-Phenylethyl)-4-piperidone1-Phenethyl-4-piperidone1-(2-phenylethyl)piperidin-4-one1-(2-苯基乙基)-4-哌啶酮

Names and Identifiers

Registration numbers

CAS Number

39742-60-4

MDL Number

MFCD00006193

Wikipedia Title

N-Phenethyl-4-piperidinone

Chemspider ID

87058

PubChem CID

96437