1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

• ChemBase编号: 5852
• 分子式: C13H22N2O3
• 平均质量: 254.32538
• 单一同位素质量: 254.16304257
• SMILES: N1(C(=O)CCC1=O)C1CC(N(O)C(C1)(C)C)(C)C
• Canonical SMILES: ON1C(C)(C)CC(CC1(C)C)N1C(=O)CCC1=O
• InChI: InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3
• InChIKey: ZHMZILPINCAHPK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
• IUPAC传统名: 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
• 别名: 1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE

登记号

• PubChem SID: 99444698; 160969279
• PubChem CID: 19989057

理论计算性质

JChem

• Acid pKa: 14.741969
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.11392147
• LogD (pH = 7.4): -0.11358598
• Log P: -0.11358168
• 摩尔折射率: 67.2131 cm^3
• 极化性: 26.672817 Å^3
• 极化表面积: 60.85 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.09
• LOG S: -0.99
• 溶解度: 2.58e+01 g/l

详细说明

DrugBank - DB08227

Drug information: experimental