Methyl 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinecarboxylate | 251638-89-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinecarboxylate
• 英文别名: methyl 1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxylate
• CAS: 251638-89-8
• 化学式: C₁₇H₂₂FNO₃
• 分子量: 307.365
• InChiKey: HQMJPOMTKBGXIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-哌啶甲酸甲酯 、 4-氯-4'-氟苯丁酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 Methyl 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinecarboxylate
  参考文献：
  名称：

  Synthesis and SAR studies of 1-substituted-n-(4-alkoxycarbonypiperidin-1-yl)alkanes as potent antiarrhythmic agents

  摘要：

  Synthesis and SAR studies of the title compounds have resulted in the identification of structural and physicochemical parameter (Vw) contributing for antiarrhythmic activity. Among the two most promising compounds 3a & 3b, the 3a has shown antiarrhythmic activity comparable to quinidine.

  DOI：

  10.1016/s0960-894x(99)00456-4

文献信息

• Synthesis and SAR studies of 1-substituted-n-(4-alkoxycarbonypiperidin-1-yl)alkanes as potent antiarrhythmic agents
  作者：C.Tripathi Ravish、Suresh K. Pandey、K. Kar、M. Dikshit、Anil K. Saxena

  DOI：10.1016/s0960-894x(99)00456-4

  日期：1999.9

  Synthesis and SAR studies of the title compounds have resulted in the identification of structural and physicochemical parameter (Vw) contributing for antiarrhythmic activity. Among the two most promising compounds 3a & 3b, the 3a has shown antiarrhythmic activity comparable to quinidine.