5-methyl-2-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridine

• ChemBase ID: 370078
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: N1(C(=O)c2ncc(cc2)C)CC(c2ccccc2)(CCC1)C
• Canonical SMILES: Cc1ccc(nc1)C(=O)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C19H22N2O/c1-15-9-10-17(20-13-15)18(22)21-12-6-11-19(2,14-21)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3
• InChIKey: QHZHWBYJLNKNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 5-methyl-2-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridine
• Synonyms: 5-methyl-2-[(3-methyl-3-phenylpiperidin-1-yl)carbonyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6799386
• LogD (pH = 7.4): 3.6799808
• Log P: 3.6799812
• Molar Refractivity: 88.5488 cm^3
• Polarizability: 33.95726 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.11
• LOG S: -4.92
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2