4-{3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl}phenol

• ChemBase编号: 338389
• 分子式: C19H32N2O
• 平均质量: 304.47018
• 单一同位素质量: 304.25146365
• SMILES: N1C(CC(CC1(C)C)NC(CCc1ccc(cc1)O)C)(C)C
• Canonical SMILES: CC(NC1CC(C)(C)NC(C1)(C)C)CCc1ccc(cc1)O
• InChI: InChI=1S/C19H32N2O/c1-14(6-7-15-8-10-17(22)11-9-15)20-16-12-18(2,3)21-19(4,5)13-16/h8-11,14,16,20-22H,6-7,12-13H2,1-5H3
• InChIKey: ZQFJDABVFMZXCU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl}phenol
• IUPAC传统名: 4-{3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl}phenol
• 别名: 4-{3-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]butyl}phenol

理论计算性质

JChem

• Acid pKa: 10.207489
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -2.6726499
• LogD (pH = 7.4): -0.8182101
• Log P: 2.4666963
• 摩尔折射率: 93.3321 cm^3
• 极化性: 37.159508 Å^3
• 极化表面积: 44.29 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 3
• Log P: 3.29
• LOG S: -2.64
• 极化表面积: 44.29 Å^2
• 可自由旋转的化学键: 5