N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)-N-(2-methylpropyl)-1-propylpiperidin-4-amine

• ChemBase ID: 593874
• Molecular Formular: C26H45N3O
• Molecular Mass: 415.655
• Monoisotopic Mass: 415.35626308
• SMILES: N(C1CCN(CC1)CCC)(CC1CCN(Cc2c(OC)cccc2)CC1)CC(C)C
• Canonical SMILES: CCCN1CCC(CC1)N(CC1CCN(CC1)Cc1ccccc1OC)CC(C)C
• InChI: InChI=1S/C26H45N3O/c1-5-14-27-17-12-25(13-18-27)29(19-22(2)3)20-23-10-15-28(16-11-23)21-24-8-6-7-9-26(24)30-4/h6-9,22-23,25H,5,10-21H2,1-4H3
• InChIKey: PDWOWYHLIOEECF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)-N-(2-methylpropyl)-1-propylpiperidin-4-amine
• IUPAC Traditional name: N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)-N-(2-methylpropyl)-1-propylpiperidin-4-amine
• Synonyms: N-isobutyl-N-{[1-(2-methoxybenzyl)-4-piperidinyl]methyl}-1-propyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.2249827
• LogD (pH = 7.4): -0.7575544
• Log P: 4.394818
• Molar Refractivity: 129.8009 cm^3
• Polarizability: 51.015995 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.97
• LOG S: -2.32
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 6