2-(diphenylmethyl)piperidine

• ChemBase编号: 66953
• 分子式: C18H21N
• 平均质量: 251.36604
• 单一同位素质量: 251.16739968
• SMILES: N1C(CCCC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: C1CCC(NC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2
• InChIKey: RWTNXJXZVGHMGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diphenylmethyl)piperidine
• IUPAC传统名: desoxypipradrol
• 别名: 2-Benzhydrylpiperidine; 2-(Diphenylmethyl)piperidine; (±)-Desoxypipradrol; 2-Diphenylmethylpiperidine; Ciba 14469; Deoxypipradrol; Desoxypipradrol; Desoxypipradrol

登记号

• CAS号: 519-74-4
• MDL号: MFCD02663618
• PubChem SID: 162032689
• PubChem CID: 160506

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.001279
• LogD (pH = 7.4): 1.5463163
• Log P: 4.229166
• 摩尔折射率: 80.4398 cm^3
• 极化性: 31.800816 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - D296980

A norepinephrine-dopamine reuptake inhibitor (NDRI). A highly lipophilic molecule lacking polar functional groups that are typically targeted by metabolic enzymes. Useful for application of treating attention-deficit hyperactivity disorder (ADHD) and depr

参考文献

• Ferris, R., et al.: J Pharmacol Exp Ther., 210, 422 (1979)
• Tripod, J., et al.: Cell. Mol. Life Sci., 10, 261 (1979)