2-phenyl-1-(piperidin-3-yl)ethan-1-one

• ChemBase ID: 306872
• Molecular Formular: C13H17NO
• Molecular Mass: 203.28018
• Monoisotopic Mass: 203.13101417
• SMILES: C(=O)(C1CNCCC1)Cc1ccccc1
• Canonical SMILES: O=C(C1CCCNC1)Cc1ccccc1
• InChI: InChI=1S/C13H17NO/c15-13(12-7-4-8-14-10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
• InChIKey: GVMHERHUVPIZHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1-(piperidin-3-yl)ethan-1-one
• IUPAC Traditional name: 2-phenyl-1-(piperidin-3-yl)ethanone
• Synonyms: 2-phenyl-1-piperidin-3-ylethanone; 2-phenyl-1-(3-piperidinyl)ethanone

Database IDs

• MDL Number: MFCD09864251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0033238
• LogD (pH = 7.4): -0.12017447
• Log P: 2.200105
• Molar Refractivity: 61.1943 cm^3
• Polarizability: 24.105553 Å^3
• Polar Surface Area: 29.1 Å^2