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

• ChemBase ID: 700303
• Molecular Formular: C24H38N2O2
• Molecular Mass: 386.57072
• Monoisotopic Mass: 386.29332847
• SMILES: N1(CCC(CN(Cc2cc(OC)ccc2)CC2OCCC2)CC1)C1CCCC1
• Canonical SMILES: COc1cccc(c1)CN(CC1CCCO1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C24H38N2O2/c1-27-23-9-4-6-21(16-23)18-25(19-24-10-5-15-28-24)17-20-11-13-26(14-12-20)22-7-2-3-8-22/h4,6,9,16,20,22,24H,2-3,5,7-8,10-15,17-19H2,1H3
• InChIKey: YZQDFEMCBPPWKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6170228
• LogD (pH = 7.4): -0.27413747
• Log P: 4.017669
• Molar Refractivity: 116.0009 cm^3
• Polarizability: 45.72805 Å^3
• Polar Surface Area: 24.94 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: 4.46
• LOG S: -2.67
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7