4-(4-chlorophenyl)-1-(3-(4-fluorophenoxy)propyl)piperidine | 1359849-86-7

• 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: 4-(4-chlorophenyl)-1-(3-(4-fluorophenoxy)propyl)piperidine
• 英文别名: 4-(4-Chlorophenyl)-1-[3-(4-fluorophenoxy)propyl]piperidine
• CAS: 1359849-86-7
• 化学式: C₂₀H₂₃ClFNO
• 分子量: 347.86
• InChiKey: OPXIAQIQFMLKDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-fluorophenoxy)-1-propanol 在 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 4-(4-chlorophenyl)-1-(3-(4-fluorophenoxy)propyl)piperidine
  参考文献：
  名称：

  Multi-receptor drug design: Haloperidol as a scaffold for the design and synthesis of atypical antipsychotic agents

  摘要：

  Using haloperidol as a scaffold, new agents were designed to investigate the structural contributions of various groups to binding at CNS receptors associated with atypical antipsychotic pharmacology. It is clear that each pharmacophoric group, the butyrophenone, the piperidine and the 4-chlorophenyl moieties contributes to changes in binding to the receptors of interest. This strategy has resulted in the identification of several new agents, compounds 16, 18, 19, 23, 24 and 25, with binding profiles which satisfy our stated criteria for agents to act as potential atypical antipsychotics. This research demonstrates that haloperidol can serve as a useful lead in the identification and design of new agents that target multiple receptors associated with antipsychotic pharmacology. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2011.12.019

文献信息

• Multi-receptor drug design: Haloperidol as a scaffold for the design and synthesis of atypical antipsychotic agents
  作者：Kwakye Peprah、Xue Y. Zhu、Suresh V.K. Eyunni、Vincent Setola、Bryan L. Roth、Seth Y. Ablordeppey

  DOI：10.1016/j.bmc.2011.12.019

  日期：2012.2

  Using haloperidol as a scaffold, new agents were designed to investigate the structural contributions of various groups to binding at CNS receptors associated with atypical antipsychotic pharmacology. It is clear that each pharmacophoric group, the butyrophenone, the piperidine and the 4-chlorophenyl moieties contributes to changes in binding to the receptors of interest. This strategy has resulted in the identification of several new agents, compounds 16, 18, 19, 23, 24 and 25, with binding profiles which satisfy our stated criteria for agents to act as potential atypical antipsychotics. This research demonstrates that haloperidol can serve as a useful lead in the identification and design of new agents that target multiple receptors associated with antipsychotic pharmacology. Published by Elsevier Ltd.