4-(1H-5-吲哚)-1-甲基哌啶-4-醇 | 262593-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(1H-5-吲哚)-1-甲基哌啶-4-醇
• 英文名称: 1-(1H-indol-5-yl)-N-methyl-4-azacyclohexanol
• 英文别名: 4-(1H-Indol-5-YL)-1-methyl-piperidin-4-OL；4-(1H-indol-5-yl)-1-methylpiperidin-4-ol
• CAS: 262593-61-3
• 化学式: C₁₄H₁₈N₂O
• 分子量: 230.31
• InChiKey: JMNMBGOOOAEWLE-UHFFFAOYSA-N

物化性质

• 沸点：
  443.9±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  39.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基-4-哌啶酮 、 5-溴吲哚 在 叔丁基锂 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙酸乙酯 、 正戊烷 为溶剂， 生成 4-(1H-5-吲哚)-1-甲基哌啶-4-醇
  参考文献：
  名称：

  3-bicycloindole compounds

  摘要：

  本文描述了一些选择性作用于5-HT1D受体的化合物，其通式为：

  公开号：

  US06562809B1

文献信息

• 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS
  申请人：NPS Allelix Corp.

  公开号：EP1114049B1

  公开（公告）日：2003-03-19
• US6562809B1
  申请人：——

  公开号：US6562809B1

  公开（公告）日：2003-05-13
• [EN] 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D LIGANDS<br/>[FR] COMPOSES DE 3-BICYCLOINDOLE COMME LIGANDS DE 5-HT1D
  申请人：ALLELIX BIOPHARMA

  公开号：WO2000017198A1

  公开（公告）日：2000-03-30

  Described herein are compounds selective for a 5-HT1D receptor, which have general Formula (I) wherein: R1 is selected from the group consisting of a group of Formula (II), H, halo, OH, C¿1-6?alkyl, C1-6alkoxy, C2-6alkenyl, C3-7cycloalkoxy, C3-7cycloalkylthio, optionally substituted furanyl, optionally substituted thienyl, optionally substituted phenyloxy, and others; X is selected from the group consisting of O, S, SO, SO2, NR?10 and CR11R12¿;-----, in ring A and ring B, represents a single or double bond provided that only one double bond is present in a ring at a time; R2 is selected from the group consisting of H, OH, C¿1-6?alkyl and C1-6alkoxy; R?3¿ is selected from the group consisting of H, OH, C¿1-6?alkyl, C1-6alkoxy, C1-6alkylthio and optionally substituted benzyloxy; R?4¿ is selected from the group consisting of H and C¿1-4?alkyl; R?5¿ is selected from the group consisting of H, OH, C¿1-6?alkyl and C1-6alkoxy; R?6¿ is selected from the group consisting of H, OH, C¿1-6?alkoxy or null; R?10¿ is selected from the group consisting of H, C¿1-6?alkyl, and optionally substituted benzyl; one of R?11 and R12¿ is selected from the group consisting of H, C¿1-6?alkyl and optionally substituted benzyl and the other is H; n is selected from the group consisting of an integer of from 1-3; and Z is selected from the group consisting of C and N. Also described is the use of these compounds as pharmaceuticals to treat indications where stimulation of a 5-HT1D receptor is indicated, such as migraine.