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

• ChemBase ID: 862054
• Molecular Formular: C22H27ClN2O
• Molecular Mass: 370.91558
• Monoisotopic Mass: 370.18119117
• SMILES: N1(c2cc(c3cc(Cl)ccc3)ccc2)CCC(NC2CCOCC2)CC1
• Canonical SMILES: Clc1cccc(c1)c1cccc(c1)N1CCC(CC1)NC1CCOCC1
• InChI: InChI=1S/C22H27ClN2O/c23-19-5-1-3-17(15-19)18-4-2-6-22(16-18)25-11-7-20(8-12-25)24-21-9-13-26-14-10-21/h1-6,15-16,20-21,24H,7-14H2
• InChIKey: YNKBJOKSMAVTOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6834135
• LogD (pH = 7.4): 1.1015769
• Log P: 3.937504
• Molar Refractivity: 109.0595 cm^3
• Polarizability: 43.48579 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: 3.93
• LOG S: -4.25
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4