N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-3-amine

• ChemBase ID: 480368
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(Cc2c(OC)cccc2)CC(Nc2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)Cc1ccccc1OC
• InChI: InChI=1S/C20H26N2O2/c1-23-19-11-9-17(10-12-19)21-18-7-5-13-22(15-18)14-16-6-3-4-8-20(16)24-2/h3-4,6,8-12,18,21H,5,7,13-15H2,1-2H3
• InChIKey: RKQFTYUTVORCIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-3-amine
• IUPAC Traditional name: N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-3-amine
• Synonyms: 1-(2-methoxybenzyl)-N-(4-methoxyphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.48773155
• LogD (pH = 7.4): 2.244452
• Log P: 3.3393636
• Molar Refractivity: 99.0211 cm^3
• Polarizability: 37.957115 Å^3
• Polar Surface Area: 33.73 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: 4.2
• LOG S: -3.4
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 4