3-(2-Phenyl-2-piperazin-1-yl-ethyl)-benzonitrile | 908851-03-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-(2-Phenyl-2-piperazin-1-yl-ethyl)-benzonitrile
• 英文别名: 3-(2-Phenyl-2-(piperazin-1-yl)ethyl)benzonitrile；3-(2-phenyl-2-piperazin-1-ylethyl)benzonitrile
• CAS: 908851-03-6
• 化学式: C₁₉H₂₁N₃
• 分子量: 291.396
• InChiKey: JQQRBSOAFDAWGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  39.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-Phenyl-2-piperazin-1-yl-ethyl)-benzonitrile 在 氢氧化钾 作用下， 以 叔丁醇 为溶剂， 生成 3-(2-Phenyl-2-piperazin-1-yl-ethyl)-benzamide
  参考文献：
  名称：

  N-(1,2-Diphenylethyl)piperazines: A new class of dual serotonin/noradrenaline reuptake inhibitor

  摘要：

  The synthesis and structure-activity relationships of a novel series of piperazine derivatives as dual inhibitors of serotonin and noradrenaline reuptake is described. Two compounds possessed comparable in vitro profiles to the dual reuptake inhibitor duloxetine. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.051
• 作为产物：
  描述：

  1-tert-butyl 4-[1H-1,2,3-benzotriazol-1-yl (phenyl) methyl]piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-(2-Phenyl-2-piperazin-1-yl-ethyl)-benzonitrile
  参考文献：
  名称：

  N-(1,2-Diphenylethyl)piperazines: A new class of dual serotonin/noradrenaline reuptake inhibitor

  摘要：

  The synthesis and structure-activity relationships of a novel series of piperazine derivatives as dual inhibitors of serotonin and noradrenaline reuptake is described. Two compounds possessed comparable in vitro profiles to the dual reuptake inhibitor duloxetine. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.051

文献信息

• N-(1,2-Diphenylethyl)piperazines: A new class of dual serotonin/noradrenaline reuptake inhibitor
  作者：M. Jonathan Fray、Gerwyn Bish、Alan D. Brown、Paul V. Fish、Alan Stobie、Florian Wakenhut、Gavin A. Whitlock

  DOI：10.1016/j.bmcl.2006.05.051

  日期：2006.8

  The synthesis and structure-activity relationships of a novel series of piperazine derivatives as dual inhibitors of serotonin and noradrenaline reuptake is described. Two compounds possessed comparable in vitro profiles to the dual reuptake inhibitor duloxetine. (c) 2006 Elsevier Ltd. All rights reserved.