2-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase编号: 76258
• 分子式: C10H16Cl2N2O
• 平均质量: 251.15284
• 单一同位素质量: 250.0639685
• SMILES: n1c(cccc1)OC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
• InChIKey: XHUOAVVGHQRNSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(piperidin-4-yloxy)pyridine dihydrochloride
• IUPAC传统名: 2-(piperidin-4-yloxy)pyridine dihydrochloride
• 别名: 4-[(Pyridin-2-yl)oxy]piperidine dihydrochloride; 2-[(Piperidin-4-yl)oxy]pyridine dihydrochloride; 2-(piperidin-4-yloxy)pyridine dihydrochloride

登记号

• MDL号: MFCD03840120
• PubChem SID: 162041165
• PubChem CID: 14674154

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.3722923
• LogD (pH = 7.4): -1.5268998
• Log P: 0.83611786
• 摩尔折射率: 50.8342 cm^3
• 极化性: 20.114086 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: 189 - 191°C
• 疏水性(logP): 1.077

安全信息

• 保存注意事项: Harmful/Store under Argon

产品相关信息

• 纯度: 95%