3-(1,2,4-oxadiazol-3-yl)piperidine

• ChemBase编号: 309895
• 分子式: C7H11N3O
• 平均质量: 153.18174
• 单一同位素质量: 153.09021199
• SMILES: c1(ncon1)C1CNCCC1
• Canonical SMILES: C1CCC(CN1)c1nocn1
• InChI: InChI=1S/C7H11N3O/c1-2-6(4-8-3-1)7-9-5-11-10-7/h5-6,8H,1-4H2
• InChIKey: FAPUBBZZFHTOQQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(1,2,4-oxadiazol-3-yl)piperidine
• IUPAC传统名: 3-(1,2,4-oxadiazol-3-yl)piperidine
• 别名: 3-(1,2,4-oxadiazol-3-yl)piperidine

登记号

• MDL号: MFCD17270958

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.811512
• LogD (pH = 7.4): -1.5173675
• Log P: 0.43794253
• 摩尔折射率: 41.5761 cm^3
• 极化性: 15.395987 Å^3
• 极化表面积: 50.95 Å^2