3-(1-methylpiperidin-4-yl)phenol | 105788-13-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(1-methylpiperidin-4-yl)phenol
• 英文别名: 3-(1-Methyl-[4]piperidyl)-phenol
• CAS: 105788-13-4
• 化学式: C₁₂H₁₇NO
• mdl: MFCD18459186
• 分子量: 191.273
• InChiKey: XFWOEVLEDXAIDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(1-methylpiperidin-4-yl)phenol 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 3-(1-methylpiperidin-4-yl)phenol hydrochloride
  参考文献：
  名称：

  Effect of the 3- and 4-Methyl Groups on the Opioid Receptor Properties of N-Substituted trans-3,4-Dimethyl-4-(3-hydroxyphenyl)piperidines

  摘要：

  N-substituted trans-3,4-dimethy1-4-(3-hydroxyphenyOpiperidines (2a,b) are opioid receptor antagonists where the antagonist properties are not due to the type of N-substituent. In order to gain a better understanding of the contribution that the 3- and 4-methyl groups make to the pure antagonist properties of 2a,b, we synthesized analogues of 2a,b that lacked the 4-methyl (5a,b), 3-methyl (6a,b), and both the 3- and 4-methyl group (7a,b) and compared their opioid receptor properties. We found that (1) all N-methyl and N-phenylpropyl substituted compounds were nonselective opioid antagonists (2) all N-phenylpropyl analogues were more potent than their N-methyl counterparts, and (3) compounds 2a,b which have both a 3- and 4-methyl substituent, were more potent antagonists than analogues 5a,b, 6a,b, and 7a,b. We also found that the removal of 3-methyl substituent of N-methyl and N-phenylpropyl 3-methyl-4-(3-hydroxyphenyl)piperazines (8a,b) gives (4a,b), which are opioid antagonists.

  DOI：

  10.1021/jm500184j
• 作为产物：
  描述：

  (+/-)-4-(3-methoxyphenyl)-1-methyl-4-piperidinol 在 水 、 氢溴酸 、 溶剂黄146 作用下， 生成 3-(1-methylpiperidin-4-yl)phenol
  参考文献：
  名称：

  PIPERIDINE DERIVATIVES. PART III. 4-ARYLPIPERIDINES¹

  摘要：

  DOI：

  10.1021/jo01170a022

文献信息

• PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND
  申请人：Takada Chie

  公开号：US20120196854A1

  公开（公告）日：2012-08-02

  A pharmaceutical composition comprising as an active ingredient, an aromatic heterocyclic compound represented by the formula (I): [wherein Q 1 represents CR 2 (wherein R 2 represents a hydrogen atom or the like) or the like; Q 2 represents CR 3 (wherein R 3 represents a hydrogen atom or the like) or the like; Q 3 represents a nitrogen atom or the like; R 1 represents —C(═O)OR 16 (wherein R 16 represents a hydrogen atom or the like) or the like; R 5 represents a hydrogen atom or the like; R 6 represents optionally substituted cycloalkyl or the like; X and Y may be the same or different and each represent CH in which H may be substituted with a substituent or the like; and Z represents a nitrogen atom or the like] or the like is provided.

  提供一种药物组合物，其活性成分为一种芳香杂环化合物，其化学式为（I）：[其中Q1代表CR2（其中R2代表氢原子或类似物）或类似物；Q2代表CR3（其中R3代表氢原子或类似物）或类似物；Q3代表氮原子或类似物；R1代表—C(═O)OR16（其中R16代表氢原子或类似物）或类似物；R5代表氢原子或类似物；R6代表可选择取代的环烷基或类似物；X和Y可以相同也可以不同，并且每个代表CH，其中H可以被取代为取代基或类似物；Z代表氮原子或类似物]或类似物。
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA MUCOVISCIDOSE
  申请人：VERTEX PHARMA

  公开号：WO2022076627A1

  公开（公告）日：2022-04-14

  This disclosure provides modulators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) having the core structure:, pharmaceutical compositions containing at least one such modulator, methods of treating CFTR mediated diseases, including cystic fibrosis using such modulators and pharmaceutical compositions, combination therapies and combination pharmaceuticals employing those modulators, and processes and intermediates for making such modulators.

  本公开提供囊性纤维化跨膜传导调节因子（CFTR）的调节剂，其具有以下核心结构：，包含至少一种这样的调节剂的药物组合物，使用这样的调节剂和药物组合物治疗CFTR介导的疾病，包括囊性纤维化的方法，使用这些调节剂的组合疗法和组合药物，以及制造这些调节剂的过程和中间体。
• DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS
  申请人：YAMASHITA Hiroshi

  公开号：US20120028920A1

  公开（公告）日：2012-02-02

  A heterocyclic compound or a salt thereof represented by the formula (1): where R 2 represents a hydrogen atom or a lower alkyl group; A represents a lower alkylene group or lower alkenylene group; and R 1 represents an aromatic group or a heterocyclic group. The compound of the present invention has a wide treatment spectrum for mental disorders including central nervous system disorders, no side effects and high safety.

  一种由式（1）所表示的杂环化合物或其盐：其中R2代表氢原子或较低的烷基基团；A代表较低的烷基烯基基团；R1代表芳香基团或杂环基团。本发明的化合物具有广泛的治疗精神障碍的光谱，包括中枢神经系统障碍，无副作用且安全性高。
• Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders
  申请人：Otsuka Pharmaceutical Co., Limited

  公开号：EP2287161A1

  公开（公告）日：2011-02-23

  A heterocyclic compound or a salt thereof represented by the formula (I): where R2 represents a hydrogen atom or a lower alkyl group; A represents a lower alkylene group or a lower alkenylene group; and R1 represents a heteromonocyclic group. The compound of the present invention has a wide treatment spectrum for mental disorders including central nervous system disorders, no side effects and high safety.

  一种杂环化合物或其盐，由式（I）代表： 其中 R2 代表氢原子或低级烷基；A 代表低级亚烷基或低级亚烯基；R1 代表杂环基团。本发明的化合物对包括中枢神经系统疾病在内的精神疾病具有治疗范围广、无副作用、安全性高等特点。
• Piperidine Derivatives. XXX. 1,4-Dialkyl-4-arylpiperidines
  作者：S. M. McElvain、David H. Clemens

  DOI：10.1021/ja01548a030

  日期：1958.8