1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine

• ChemBase ID: 863481
• Molecular Formular: C23H30N2O
• Molecular Mass: 350.4971
• Monoisotopic Mass: 350.23581359
• SMILES: N1(c2cc(c3ccc(cc3)C)ccc2)CCC(NC2CCOCC2)CC1
• Canonical SMILES: Cc1ccc(cc1)c1cccc(c1)N1CCC(CC1)NC1CCOCC1
• InChI: InChI=1S/C23H30N2O/c1-18-5-7-19(8-6-18)20-3-2-4-23(17-20)25-13-9-21(10-14-25)24-22-11-15-26-16-12-22/h2-8,17,21-22,24H,9-16H2,1H3
• InChIKey: PLOMNCXLWVXMDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
• Synonyms: 1-(4'-methyl-3-biphenylyl)-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5917206
• LogD (pH = 7.4): 1.0109395
• Log P: 3.8468807
• Molar Refractivity: 109.2959 cm^3
• Polarizability: 43.452904 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.68
• LOG S: -3.89
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4