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

• ChemBase编号: 242815
• 分子式: C15H26ClN3O
• 平均质量: 299.83944
• 单一同位素质量: 299.17644015
• SMILES: n1c(noc1CC1CNCCC1)C1CCCCCC1.Cl
• Canonical SMILES: C1CCCC(CC1)c1noc(n1)CC1CCCNC1.Cl
• InChI: InChI=1S/C15H25N3O.ClH/c1-2-4-8-13(7-3-1)15-17-14(19-18-15)10-12-6-5-9-16-11-12;/h12-13,16H,1-11H2;1H
• InChIKey: DJHJJXJMCFWOHX-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD22578521
• PubChem SID: 164298725
• PubChem CID: 71757088

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.14098954
• LogD (pH = 7.4): 0.7332809
• Log P: 3.1905015
• 摩尔折射率: 76.4721 cm^3
• 极化性: 29.286442 Å^3
• 极化表面积: 50.95 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.943

产品相关信息

• 纯度: 95%