4-(2-(Aminomethyl)phenyl)-1-(bis(2-chlorophenyl)methyl)piperidin-4-ol | 322473-82-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-(Aminomethyl)phenyl)-1-(bis(2-chlorophenyl)methyl)piperidin-4-ol
• 英文别名: 4-[2-(aminomethyl)phenyl]-1-[bis(2-chlorophenyl)methyl]piperidin-4-ol
• CAS: 322473-82-5
• 化学式: C₂₅H₂₆Cl₂N₂O
• 分子量: 441.4
• InChiKey: BXQWADGIJULQKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  49.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-(Aminomethyl)phenyl)-1-(bis(2-chlorophenyl)methyl)piperidin-4-ol 、 丙基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-(1-(bis(2-chlorophenyl)methyl)-4-hydroxypiperidin-4-yl)benzyl)propane-1-sulfonamide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2

  摘要：

  A series of 4-[2-(aminomethyl)phenyl]-1-[bis(2-chlorophenyl)methyl]-4-hydroxypiperidine analogs has been identified as nociceptin receptor ligands. These compounds display high affinity and functional activity at the nociceptin receptor. The synthesis and structure-activity relationships at the C-4 phenyl and N-1 positions are described and the antitussive activity of a selected compound is reported. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.062
• 作为产物：
  描述：

  4-氧代哌啶酮盐酸盐 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 4-(2-(Aminomethyl)phenyl)-1-(bis(2-chlorophenyl)methyl)piperidin-4-ol
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2

  摘要：

  A series of 4-[2-(aminomethyl)phenyl]-1-[bis(2-chlorophenyl)methyl]-4-hydroxypiperidine analogs has been identified as nociceptin receptor ligands. These compounds display high affinity and functional activity at the nociceptin receptor. The synthesis and structure-activity relationships at the C-4 phenyl and N-1 positions are described and the antitussive activity of a selected compound is reported. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.062

文献信息

• Synthesis and structure–activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2
  作者：Ginny D. Ho、Ana Bercovici、Deen Tulshian、William J. Greenlee、Ahmad Fawzi、Xiomara Fernandez、Robbie L. McLeod、April Smith Torhan、Hongtao Zhang

  DOI：10.1016/j.bmcl.2007.03.062

  日期：2007.6

  A series of 4-[2-(aminomethyl)phenyl]-1-[bis(2-chlorophenyl)methyl]-4-hydroxypiperidine analogs has been identified as nociceptin receptor ligands. These compounds display high affinity and functional activity at the nociceptin receptor. The synthesis and structure-activity relationships at the C-4 phenyl and N-1 positions are described and the antitussive activity of a selected compound is reported. (C) 2007 Elsevier Ltd. All rights reserved.