2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase编号: 246981
• 分子式: C11H18Cl2N2O
• 平均质量: 265.17942
• 单一同位素质量: 264.07961857
• SMILES: n1c(OC2CCNCC2)cccc1C.Cl.Cl
• Canonical SMILES: Cc1cccc(n1)OC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-9-3-2-4-11(13-9)14-10-5-7-12-8-6-10;;/h2-4,10,12H,5-8H2,1H3;2*1H
• InChIKey: RHCBCXQCATYEFM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
• IUPAC传统名: 2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
• 别名: 2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride

登记号

• PubChem SID: 164302891
• PubChem CID: 22499431

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.245964
• LogD (pH = 7.4): -1.3955936
• Log P: 0.967488
• 摩尔折射率: 55.4257 cm^3
• 极化性: 21.880117 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: 168 - 170°C
• 疏水性(logP): 1.576

产品相关信息

• 纯度: 95%