[(1-cyclopentylpiperidin-4-yl)methyl][(2-fluoro-5-methoxyphenyl)methyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 407120
• Molecular Formular: C24H37FN2O2
• Molecular Mass: 404.5611832
• Monoisotopic Mass: 404.28390665
• SMILES: c1(CN(CC2OCCC2)CC2CCN(CC2)C2CCCC2)c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)CN(CC1CCCO1)CC1CCN(CC1)C1CCCC1)F
• InChI: InChI=1S/C24H37FN2O2/c1-28-22-8-9-24(25)20(15-22)17-26(18-23-7-4-14-29-23)16-19-10-12-27(13-11-19)21-5-2-3-6-21/h8-9,15,19,21,23H,2-7,10-14,16-18H2,1H3
• InChIKey: LRYANYRAFJBVBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-cyclopentylpiperidin-4-yl)methyl][(2-fluoro-5-methoxyphenyl)methyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [(1-cyclopentylpiperidin-4-yl)methyl][(2-fluoro-5-methoxyphenyl)methyl](oxolan-2-ylmethyl)amine
• Synonyms: 1-(1-cyclopentyl-4-piperidinyl)-N-(2-fluoro-5-methoxybenzyl)-N-(tetrahydro-2-furanylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7569304
• LogD (pH = 7.4): 0.7458179
• Log P: 4.160371
• Molar Refractivity: 116.2173 cm^3
• Polarizability: 45.356483 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: 4.75
• LOG S: -2.9
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7