4-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase编号: 70331
• 分子式: C10H16Cl2N2O
• 平均质量: 251.15284
• 单一同位素质量: 250.0639685
• SMILES: c1cc(ccn1)OC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1ccncc1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10;;/h1-2,5-6,10,12H,3-4,7-8H2;2*1H
• InChIKey: NCBQKBGLOIQMLC-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 308386-36-9
• MDL号: MFCD03840121
• PubChem SID: 162036052
• PubChem CID: 17749787

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.6859562
• LogD (pH = 7.4): -2.1642942
• Log P: 0.24166031
• 摩尔折射率: 50.5207 cm^3
• 极化性: 20.107784 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; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%; 98%