1-ethylpiperidin-3-amine hydrochloride

• ChemBase编号: 168631
• 分子式: C7H17ClN2
• 平均质量: 164.67628
• 单一同位素质量: 164.10802623
• SMILES: C1CN(CC(C1)N)CC.Cl
• Canonical SMILES: CCN1CCCC(C1)N.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-2-9-5-3-4-7(8)6-9;/h7H,2-6,8H2,1H3;1H
• InChIKey: RQWGTJGSKRUCNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethylpiperidin-3-amine hydrochloride
• IUPAC传统名: 3-piperidinamine, 1-ethyl- hydrochloride
• 别名: 3-Amino-1-ethylpiperidine Hydrochloride; 1-Ethyl-3-aminopiperidine Hydrochloride; 1-Ethylpiperidin-3-ylamine Hydrochloride; 3-Amino-N-ethylpiperidine Hydrochloride; N-Ethyl-3-aminopiperidine Hydrochloride; NSC 76077 Hydrochloride; 1-Ethyl-3-piperidinamine Hydrochloride

登记号

• PubChem SID: 162262763
• PubChem CID: 68861519

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -4.7383003
• LogD (pH = 7.4): -2.4741344
• Log P: 0.21555814
• 摩尔折射率: 39.8977 cm^3
• 极化性: 15.965017 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - E923900

1-Ethyl-3-piperidinamine is an intermediate of 4-Amino-N-(1-ethyl-3-piperidinyl)-5-(ethylsulfonyl)-2-methoxybenzamide (A609495).

参考文献

• Elslager, E.F., et al.: J. Med. Chem., 24, 127 (1981)