4-(piperidin-3-yloxy)pyridine dihydrochloride

• ChemBase编号: 76420
• 分子式: C10H16Cl2N2O
• 平均质量: 251.15284
• 单一同位素质量: 250.0639685
• SMILES: N1CCCC(C1)Oc1ccncc1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)Oc1ccncc1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/c1-2-10(8-12-5-1)13-9-3-6-11-7-4-9;;/h3-4,6-7,10,12H,1-2,5,8H2;2*1H
• InChIKey: AQRGUPOIHWGEAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(piperidin-3-yloxy)pyridine dihydrochloride
• IUPAC传统名: 4-(piperidin-3-yloxy)pyridine dihydrochloride
• 别名: 3-[(Pyridin-4-yl)oxy]piperidine dihydrochloride; Piperidin-3-yl pyridin-4-yl ether dihydrochloride; 4-[(Piperidin-3-yl)oxy]pyridine dihydrochloride

登记号

• MDL号: MFCD04117748
• PubChem SID: 162041325
• PubChem CID: 17998834

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.1603549
• LogD (pH = 7.4): -1.3606545
• Log P: 0.69906324
• 摩尔折射率: 50.2999 cm^3
• 极化性: 20.10774 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

安全信息

• 保存注意事项: Harmful/Store under Argon