4-1-<4-(4-fluorophenyl)-4-oxobutyl>piperidine hydrochloride | 98634-80-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-1-<4-(4-fluorophenyl)-4-oxobutyl>piperidine hydrochloride
• 英文别名: 4-[4-(4-fluoro-N-(4-fluorophenyl)anilino)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
• CAS: 98634-80-1
• 化学式: C₂₇H₂₇F₃N₂O*ClH
• 分子量: 488.98
• InChiKey: KHBPQIMDXSYNGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.79
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  23.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-1-<4-(4-fluorophenyl)-4-oxobutyl>piperidine hydrochloride 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以0.082 g的产率得到4--1-<4-(4-fluorophenyl)-4-hydroxybutyl>piperidine
  参考文献：
  名称：

  Neuroleptic activity of chiral trans-hexahydro-.gamma.-carbolines

  摘要：

  A series of trans-8-fluoro-5-(4-fluorophenyl)-2,3,4,4a,5, 9b-hexahydro-1H-pyrido[4,3-b]indoles with various N-2 substituents has been prepared and tested for neuroleptic activity [( 3H]spiroperidol binding and amphetamine antagonism). Several members of this series showed exceptional in vivo potency, especially the hydantoin derivatives 27-30. Resolution into the enantiomers showed that neuroleptic activity is associated with the 4aS,9bS absolute configuration. These rigid neuroleptics have been correlated with other rigid neuroleptics [(+)-dexclamol, Ro 22-1319] and can serve to further define the topography of the dopamine receptor.

  DOI：

  10.1021/jm00151a002