1-methyl-N-[1-(4-phenylphenyl)ethyl]piperidin-4-amine

• ChemBase ID: 633882
• Molecular Formular: C20H26N2
• Molecular Mass: 294.43384
• Monoisotopic Mass: 294.20959884
• SMILES: N1(CCC(NC(c2ccc(cc2)c2ccccc2)C)CC1)C
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1)NC1CCN(CC1)C
• InChI: InChI=1S/C20H26N2/c1-16(21-20-12-14-22(2)15-13-20)17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20-21H,12-15H2,1-2H3
• InChIKey: VVKRTVRRUHCCMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[1-(4-phenylphenyl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-methyl-N-[1-(4-phenylphenyl)ethyl]piperidin-4-amine
• Synonyms: N-(1-biphenyl-4-ylethyl)-1-methylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3962882
• LogD (pH = 7.4): 0.79940605
• Log P: 3.6222012
• Molar Refractivity: 94.3121 cm^3
• Polarizability: 38.528744 Å^3
• Polar Surface Area: 15.27 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: 3.6
• LOG S: -3.41
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4