2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride

• ChemBase编号: 242486
• 分子式: C16H27Cl2N3O
• 平均质量: 348.31108
• 单一同位素质量: 347.15311786
• SMILES: C(=O)(N(C1CCN(CC1)CC)C)C(c1ccccc1)N.Cl.Cl
• Canonical SMILES: CCN1CCC(CC1)N(C(=O)C(c1ccccc1)N)C.Cl.Cl
• InChI: InChI=1S/C16H25N3O.2ClH/c1-3-19-11-9-14(10-12-19)18(2)16(20)15(17)13-7-5-4-6-8-13;;/h4-8,14-15H,3,9-12,17H2,1-2H3;2*1H
• InChIKey: YUPPKECVTZQURE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride
• IUPAC传统名: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride
• 别名: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride

登记号

• MDL号: MFCD22566055
• PubChem SID: 164298396
• PubChem CID: 71757029

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.456077
• LogD (pH = 7.4): -1.1133391
• Log P: 0.81297743
• 摩尔折射率: 82.1766 cm^3
• 极化性: 32.283916 Å^3
• 极化表面积: 49.57 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.025

产品相关信息

• 纯度: 95%