Rac-3-((2-ethylphenoxy)(piperidin-4-yl)methyl)pyridine | 1167435-92-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Rac-3-((2-ethylphenoxy)(piperidin-4-yl)methyl)pyridine
• 英文别名: 3-[(2-ethylphenoxy)-piperidin-4-ylmethyl]pyridine
• CAS: 1167435-92-8
• 化学式: C₁₉H₂₄N₂O
• 分子量: 296.412
• InChiKey: NQBQXWBCVCHJSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl 4-((2-ethylphenoxy)(pyridin-3-yl)methyl)piperidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 Rac-3-((2-ethylphenoxy)(piperidin-4-yl)methyl)pyridine
  参考文献：
  名称：

  4-Piperidines and 3-pyrrolidines as dual serotonin and noradrenaline reuptake inhibitors: Design, synthesis and structure–activity relationships

  摘要：

  Single enantiomer [(aryloxy)(pyridinyl) methyl] piperidine and pyrrolidine derivatives 5-9 are inhibitors of monoamine reuptake. Structure-activity relationships established that monoamine reuptake inhibition are functions of amine, pyridine isomer, aryloxy ring substitution and stereochemistry. Consequently, selective NRIs, selective SRIs, dual SNRIs and triple SNDRIs were all identified. Dual SNRIs 51-a and 9c were evaluated in additional pharmacology and pharmacokinetic studies as representative examples from this series. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.090

文献信息

• 4-Piperidines and 3-pyrrolidines as dual serotonin and noradrenaline reuptake inhibitors: Design, synthesis and structure–activity relationships
  作者：Paul V. Fish、Mark D. Andrews、M. Jonathan Fray、Alan Stobie、Florian Wakenhut、Gavin A. Whitlock

  DOI：10.1016/j.bmcl.2009.03.090

  日期：2009.5

  Single enantiomer [(aryloxy)(pyridinyl) methyl] piperidine and pyrrolidine derivatives 5-9 are inhibitors of monoamine reuptake. Structure-activity relationships established that monoamine reuptake inhibition are functions of amine, pyridine isomer, aryloxy ring substitution and stereochemistry. Consequently, selective NRIs, selective SRIs, dual SNRIs and triple SNDRIs were all identified. Dual SNRIs 51-a and 9c were evaluated in additional pharmacology and pharmacokinetic studies as representative examples from this series. (C) 2009 Elsevier Ltd. All rights reserved.