4-(piperidin-4-yl)pyridine dihydrochloride

• ChemBase编号: 144056
• 分子式: C10H16Cl2N2
• 平均质量: 235.15344
• 单一同位素质量: 234.06905388
• SMILES: c1cnccc1C1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)c1ccncc1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-2,5-6,10,12H,3-4,7-8H2;2*1H
• InChIKey: VHWFTCWXAYODSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(piperidin-4-yl)pyridine dihydrochloride
• IUPAC传统名: 4-(piperidin-4-yl)pyridine dihydrochloride
• 别名: 4-Piperidin-4-ylpyridine dihydrochloride

登记号

• MDL号: MFCD04117756
• PubChem SID: 162238273
• PubChem CID: 22100875

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.6300845
• LogD (pH = 7.4): -1.6863927
• Log P: 0.8606383
• 摩尔折射率: 49.3221 cm^3
• 极化性: 19.371668 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H16Cl2N2

详细说明

Sigma Aldrich - CBR00621

Other Notes
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