5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase编号: 247049
• 分子式: C11H18Cl2N2O
• 平均质量: 265.17942
• 单一同位素质量: 264.07961857
• SMILES: n1c(OC2CCNCC2)ccc(c1)C.Cl.Cl
• Canonical SMILES: Cc1ccc(nc1)OC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-9-2-3-11(13-8-9)14-10-4-6-12-7-5-10;;/h2-3,8,10,12H,4-7H2,1H3;2*1H
• InChIKey: ANJOBTONXYHJLY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride
• IUPAC传统名: 5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride
• 别名: 5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride

登记号

• PubChem SID: 164302959
• PubChem CID: 69411512

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.8605598
• LogD (pH = 7.4): -1.0134997
• Log P: 1.3495393
• 摩尔折射率: 55.8754 cm^3
• 极化性: 21.879297 Å^3
• 极化表面积: 34.15 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 181 - 183°C
• 疏水性(logP): 1.576

产品相关信息

• 纯度: 95%