3-methyl-N-neopentylpiperidine

• 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-methyl-N-neopentylpiperidine
• 英文别名: 1-(2,2-Dimethylpropyl)-3-methylpiperidine
• 化学式: C₁₁H₂₃N
• 分子量: 169.31
• InChiKey: RXHGIAKAHIRNSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-甲基哌啶 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 乙醚 、 氯仿 为溶剂， 反应 36.0h， 生成 3-methyl-N-neopentylpiperidine
  参考文献：
  名称：

  Eclipsed Conformation of the Exocyclic N−CH₂ Bond in N-Neopentylpiperidines and the Stereodynamic Consequences As Studied by Dynamic NMR Spectroscopy and Molecular Mechanics Calculations

  摘要：

  The dynamic stereochemistry of a range of N-neopentylpiperidines 1 with an eclipsed N-CH2-t-Bu bond is compared with that of the corresponding range of N-ethylpiperidines 2 with a gauche N-CH2Me bond. By using dynamic NMR spectroscopy, the relative importance of ring inversion, exocyclic bond rotation, and nitrogen inversion are elucidated and barriers are reported and discussed. Minor populations of the neopentyl-axial-eclipsed conformation are detected directly and identified with the help of molecular mechanics calculations. The corresponding N-alkylpyrrolidines are also reported.

  DOI：

  10.1021/jo9720344

文献信息

• METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER
  申请人：Genentech, Inc.

  公开号：US20130261104A1

  公开（公告）日：2013-10-03

  Methods of use of compounds of formula (I) for treating cancer: wherein X, Y, X, R 3 , R 5 and R 6 are as defined herein.

  使用式(I)化合物治疗癌症的方法：其中X、Y、X、R3、R5和R6的定义如本文所述。
• N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Kuduk Scott D.

  公开号：US20150065498A1

  公开（公告）日：2015-03-05

  The present invention is directed to N-linked lactam compounds of general formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及一般式（I）的N-连接内酰胺化合物，它们是M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，例如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含这些化合物的药物组合物，以及在治疗M1受体介导的疾病中使用这些化合物和组合物的方法。
• US8501765B2
  申请人：——

  公开号：US8501765B2

  公开（公告）日：2013-08-06
• US9206200B2
  申请人：——

  公开号：US9206200B2

  公开（公告）日：2015-12-08
• US9216980B2
  申请人：——

  公开号：US9216980B2

  公开（公告）日：2015-12-22

表征谱图