1-(3-[3-{4-(2-chlorobenzyl)piperazin-1-yl}propoxy]phenyl)ethanone | 1373134-03-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-[3-{4-(2-chlorobenzyl)piperazin-1-yl}propoxy]phenyl)ethanone
• 英文别名: 1-[3-[3-[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]propoxy]phenyl]ethanone；1-[3-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propoxy]phenyl]ethanone
• CAS: 1373134-03-2
• 化学式: C₂₂H₂₇ClN₂O₂
• 分子量: 386.922
• InChiKey: AOOAAZFXCJGFDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻氯氯苄 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(3-[3-{4-(2-chlorobenzyl)piperazin-1-yl}propoxy]phenyl)ethanone
  参考文献：
  名称：

  Synthesis and evaluation of meta substituted 1-(aryloxypropyl)-4-(chloroaryl) piperazines as potential atypical antipsychotics

  摘要：

  A series of 1-(aryloxypropyl)-4-(chloroaryl) piperazines have been synthesized based upon their physicochemical similarity with respect to standard atypical antipsychotic drugs and their potential to cross the blood-brain barrier (log BB) as calculated by appropriate software programmes. The target compounds were evaluated for atypical antipsychotic activity in apomorphine-induced mesh climbing and stereotypy assays in mice. The compounds 8, 9 and 10 bearing hydrogen bond acceptor substituents have emerged as important lead compounds showing higher efficacy along with potential atypical antipsychotic profile.

  DOI：

  10.1007/s00044-012-0038-6

文献信息

• Synthesis and evaluation of meta substituted 1-(aryloxypropyl)-4-(chloroaryl) piperazines as potential atypical antipsychotics
  作者：Alka Bali、A. C. Dinesh Kumar Reddy

  DOI：10.1007/s00044-012-0038-6

  日期：2013.1

  A series of 1-(aryloxypropyl)-4-(chloroaryl) piperazines have been synthesized based upon their physicochemical similarity with respect to standard atypical antipsychotic drugs and their potential to cross the blood-brain barrier (log BB) as calculated by appropriate software programmes. The target compounds were evaluated for atypical antipsychotic activity in apomorphine-induced mesh climbing and stereotypy assays in mice. The compounds 8, 9 and 10 bearing hydrogen bond acceptor substituents have emerged as important lead compounds showing higher efficacy along with potential atypical antipsychotic profile.