1-[3-(3-methoxyphenyl)phenyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 547885
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: N1(c2cc(c3cc(OC)ccc3)ccc2)CCC(NCc2cnccc2)CC1
• Canonical SMILES: COc1cccc(c1)c1cccc(c1)N1CCC(CC1)NCc1cccnc1
• InChI: InChI=1S/C24H27N3O/c1-28-24-9-3-7-21(16-24)20-6-2-8-23(15-20)27-13-10-22(11-14-27)26-18-19-5-4-12-25-17-19/h2-9,12,15-17,22,26H,10-11,13-14,18H2,1H3
• InChIKey: ICNDNKIICVAFDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(3-methoxyphenyl)phenyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-[3-(3-methoxyphenyl)phenyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
• Synonyms: 1-(3'-methoxy-3-biphenylyl)-N-(3-pyridinylmethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.55970675
• LogD (pH = 7.4): 1.8211143
• Log P: 3.7214026
• Molar Refractivity: 114.6981 cm^3
• Polarizability: 45.568054 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.02
• LOG S: -3.05
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 6