1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 551652
• Molecular Formular: C24H32N2O
• Molecular Mass: 364.52368
• Monoisotopic Mass: 364.25146365
• SMILES: N1(c2cc(c3c(C)cccc3)ccc2)CCC(NCC2COCCC2)CC1
• Canonical SMILES: Cc1ccccc1c1cccc(c1)N1CCC(CC1)NCC1CCCOC1
• InChI: InChI=1S/C24H32N2O/c1-19-6-2-3-10-24(19)21-8-4-9-23(16-21)26-13-11-22(12-14-26)25-17-20-7-5-15-27-18-20/h2-4,6,8-10,16,20,22,25H,5,7,11-15,17-18H2,1H3
• InChIKey: HKAULDVXNZREEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0922303
• LogD (pH = 7.4): 1.4601219
• Log P: 4.349038
• Molar Refractivity: 114.0151 cm^3
• Polarizability: 45.300686 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.0
• LOG S: -4.26
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5