1,3-dimethyl-2-phenylpiperidin-4-one

• ChemBase ID: 310587
• Molecular Formular: C13H17NO
• Molecular Mass: 203.28018
• Monoisotopic Mass: 203.13101417
• SMILES: C1(C(C(=O)CCN1C)C)c1ccccc1
• Canonical SMILES: CN1CCC(=O)C(C1c1ccccc1)C
• InChI: InChI=1S/C13H17NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
• InChIKey: STSXXDYXEZFGJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-2-phenylpiperidin-4-one
• IUPAC Traditional name: 1,3-dimethyl-2-phenylpiperidin-4-one
• Synonyms: 1,3-dimethyl-2-phenylpiperidin-4-one

Database IDs

• CAS Number: 161894-21-9
• MDL Number: MFCD00543850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8623185
• LogD (pH = 7.4): 2.312377
• Log P: 2.5003593
• Molar Refractivity: 61.3208 cm^3
• Polarizability: 24.103819 Å^3
• Polar Surface Area: 20.31 Å^2