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

• ChemBase编号: 597945
• 分子式: C24H38N2O
• 平均质量: 370.57132
• 单一同位素质量: 370.29841385
• SMILES: N1(CCC(CN(CC2OCCC2)CCc2ccccc2)CC1)C1CCCC1
• Canonical SMILES: C1COC(C1)CN(CC1CCN(CC1)C1CCCC1)CCc1ccccc1
• InChI: InChI=1S/C24H38N2O/c1-2-7-21(8-3-1)12-15-25(20-24-11-6-18-27-24)19-22-13-16-26(17-14-22)23-9-4-5-10-23/h1-3,7-8,22-24H,4-6,9-20H2
• InChIKey: YQBPLTLFIIWGME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)(2-phenylethyl)amine
• IUPAC传统名: [(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)(2-phenylethyl)amine
• 别名: N-[(1-cyclopentyl-4-piperidinyl)methyl]-2-phenyl-N-(tetrahydro-2-furanylmethyl)ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.33708
• LogD (pH = 7.4): -0.2408132
• Log P: 4.4640017
• 摩尔折射率: 114.2927 cm^3
• 极化性: 45.004208 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 4.94
• LOG S: -3.76
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 8