1-methyl-2,6-diphenylpiperidin-4-one

• ChemBase ID: 310738
• Molecular Formular: C18H19NO
• Molecular Mass: 265.34956
• Monoisotopic Mass: 265.14666423
• SMILES: N1(C(CC(=O)CC1c1ccccc1)c1ccccc1)C
• Canonical SMILES: CN1C(CC(=O)CC1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H19NO/c1-19-17(14-8-4-2-5-9-14)12-16(20)13-18(19)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3
• InChIKey: UICNNPDZLGFJRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5554-56-3
• MDL Number: MFCD00034486

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3662586
• LogD (pH = 7.4): 3.6316187
• Log P: 3.7416131
• Molar Refractivity: 81.0291 cm^3
• Polarizability: 31.886894 Å^3
• Polar Surface Area: 20.31 Å^2