[(1-cyclopentylpiperidin-4-yl)methyl][(2-methoxyphenyl)methyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 522944
• Molecular Formular: C25H35N3O
• Molecular Mass: 393.5649
• Monoisotopic Mass: 393.27801276
• SMILES: N1(CCC(CN(Cc2c(OC)cccc2)Cc2cnccc2)CC1)C1CCCC1
• Canonical SMILES: COc1ccccc1CN(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C25H35N3O/c1-29-25-11-5-2-8-23(25)20-27(19-22-7-6-14-26-17-22)18-21-12-15-28(16-13-21)24-9-3-4-10-24/h2,5-8,11,14,17,21,24H,3-4,9-10,12-13,15-16,18-20H2,1H3
• InChIKey: RCDIHAQSZMKHGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-cyclopentylpiperidin-4-yl)methyl][(2-methoxyphenyl)methyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [(1-cyclopentylpiperidin-4-yl)methyl][(2-methoxyphenyl)methyl](pyridin-3-ylmethyl)amine
• Synonyms: 1-(1-cyclopentyl-4-piperidinyl)-N-(2-methoxybenzyl)-N-(3-pyridinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8102713
• LogD (pH = 7.4): 0.6927294
• Log P: 4.1058807
• Molar Refractivity: 120.2019 cm^3
• Polarizability: 47.11611 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.05
• LOG S: -2.84
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7