1,3-dimethyl-2,6-diphenylpiperidin-4-one

• ChemBase ID: 310740
• Molecular Formular: C19H21NO
• Molecular Mass: 279.37614
• Monoisotopic Mass: 279.1623143
• SMILES: N1(C(CC(=O)C(C1c1ccccc1)C)c1ccccc1)C
• Canonical SMILES: CN1C(CC(=O)C(C1c1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C19H21NO/c1-14-18(21)13-17(15-9-5-3-6-10-15)20(2)19(14)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3
• InChIKey: DZCQBSKDIIAQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-2,6-diphenylpiperidin-4-one
• IUPAC Traditional name: 1,3-dimethyl-2,6-diphenylpiperidin-4-one
• Synonyms: 1,3-dimethyl-2,6-diphenylpiperidin-4-one

Database IDs

• CAS Number: 5554-58-5
• MDL Number: MFCD00418628

CALCULATED PROPERTIES

• Polarizability: 33.733562 Å^3
• Polar Surface Area: 20.31 Å^2
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6172898
• LogD (pH = 7.4): 4.0857105
• Log P: 4.2845993
• Molar Refractivity: 85.6036 cm^3