1-[2-(cyclohexyl-hydroxy-phenyl-acetoxy)-ethyl]-1-methyl-piperidinium; bromide | 7146-19-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[2-(cyclohexyl-hydroxy-phenyl-acetoxy)-ethyl]-1-methyl-piperidinium; bromide
• 英文别名: 1-[2-(Cyclohexyl-hydroxy-phenyl-acetoxy)-aethyl]-1-methyl-piperidinium; Bromid；1-(2-{[Cyclohexyl(hydroxy)phenylacetyl]oxy}ethyl)-1-methylpiperidin-1-ium bromide；2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;bromide
• CAS: 7146-19-2
• 化学式: Br*C₂₂H₃₄NO₃
• 分子量: 440.421
• InChiKey: CGQRLNWEQKHHPT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.63
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-氯乙基)哌啶 在 甲醇 、 异丙醇 作用下， 生成 1-[2-(cyclohexyl-hydroxy-phenyl-acetoxy)-ethyl]-1-methyl-piperidinium; bromide
  参考文献：
  名称：

  Physiologically Active Compounds. III. Hydrochlorides of Amino Esters of Phenylcyclohexylglycolic Acids, of Amides of Benzilic, Phenylcyclohexyl- and Dicyclohexylglycolic, and Phenylcyclohexylacetic Acids; 2-Methylthioethyl Ester Methiodides of Substituted Benzilic Acids

  摘要：

  DOI：

  10.1021/jo01091a037

文献信息

• Adlerova,E. et al., Collection of Czechoslovak Chemical Communications, 1964, vol. 29, p. 97 - 120
  作者：Adlerova,E. et al.

  DOI：——

  日期：——
• Physiologically Active Compounds. III. Hydrochlorides of Amino Esters of Phenylcyclohexylglycolic Acids, of Amides of Benzilic, Phenylcyclohexyl- and Dicyclohexylglycolic, and Phenylcyclohexylacetic Acids; 2-Methylthioethyl Ester Methiodides of Substituted Benzilic Acids
  作者：H. A. SMITH、C. A. BUEHLER、T. A. MAGEE、K. V. NAYAK、D. M. GLENN

  DOI：10.1021/jo01091a037

  日期：1959.9