4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine

• ChemBase编号: 309018
• 分子式: C11H17N3O
• 平均质量: 207.27218
• 单一同位素质量: 207.13716218
• SMILES: n1c(onc1CC1CCNCC1)C1CC1
• Canonical SMILES: N1CCC(CC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(14-15-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2
• InChIKey: YJIFMMUOUPXZOL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine
• IUPAC传统名: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine
• 别名: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine

登记号

• CAS号: 1210470-78-2
• MDL号: MFCD13188604

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.9185653
• LogD (pH = 7.4): -1.3772062
• Log P: 1.4365748
• 摩尔折射率: 58.1451 cm^3
• 极化性: 21.934141 Å^3
• 极化表面积: 50.95 Å^2