1-(cyclopentylmethyl)-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine

• ChemBase编号: 708663
• 分子式: C23H34N2O2
• 平均质量: 370.52826
• 单一同位素质量: 370.26202834
• SMILES: C(=O)(c1c(OC2CCN(CC3CCCC3)CC2)cccc1)N1CCCCC1
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)CC1CCCC1)N1CCCCC1
• InChI: InChI=1S/C23H34N2O2/c26-23(25-14-6-1-7-15-25)21-10-4-5-11-22(21)27-20-12-16-24(17-13-20)18-19-8-2-3-9-19/h4-5,10-11,19-20H,1-3,6-9,12-18H2
• InChIKey: WILISKJJICUWBV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(cyclopentylmethyl)-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• IUPAC传统名: 1-(cyclopentylmethyl)-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• 别名: 1-(cyclopentylmethyl)-4-[2-(1-piperidinylcarbonyl)phenoxy]piperidine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.2540358
• LogD (pH = 7.4): 1.4665611
• Log P: 3.6604538
• 摩尔折射率: 110.1301 cm^3
• 极化性: 42.646572 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 4.0
• LOG S: -4.38
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 5