2-methoxy-6-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol

• ChemBase编号: 374156
• 分子式: C18H30N2O2
• 平均质量: 306.443
• 单一同位素质量: 306.23072821
• SMILES: c1(c(c(OC)ccc1)O)CN(C1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: COc1cccc(c1O)CN(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C18H30N2O2/c1-17(2)10-14(11-18(3,4)19-17)20(5)12-13-8-7-9-15(22-6)16(13)21/h7-9,14,19,21H,10-12H2,1-6H3
• InChIKey: NAAGOUVJWGYRJW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-6-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol
• IUPAC传统名: 2-methoxy-6-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol
• 别名: 2-methoxy-6-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol

理论计算性质

JChem

• Acid pKa: 7.9692945
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.3914278
• LogD (pH = 7.4): -0.90119857
• Log P: 1.2289103
• 摩尔折射率: 91.3152 cm^3
• 极化性: 36.040344 Å^3
• 极化表面积: 44.73 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 2
• Log P: 2.8
• LOG S: -2.81
• 极化表面积: 44.73 Å^2
• 可自由旋转的化学键: 4