790668-06-3 ((2R,4S)-4-羟基-2-甲基哌啶-1-羧酸叔丁酯,Tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate)

CAS号:
790668-06-3
中文名称:
(2R,4S)-4-羟基-2-甲基哌啶-1-羧酸叔丁酯
英文名称:
Tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
分子式:
C11H21NO3
分子量:
215.289343595505

(2R,4S)-4-羟基-2-甲基哌啶-1-羧酸叔丁酯(790668-06-3)名称与标识符

名称

英文别名:
1-Piperidinecarboxylicacid,4-hydroxy-2-methyl-,1,1-dimethylethylester,(2R,4S)-(9CI);(2R,4S)-1-BOC-2-METHYL-4-HYDROXYPIPERIDINE;tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate;(2R,4S)-tert-Butyl 4-hydroxy-2-methylpiperidine-1-carboxylate;(2R,4S)-rel-tert-Butyl 4-hydroxy-2-methylpiperidine-1-carboxylate;tert-Butyl (2S,4R)-4-hydroxy-2-methyl-piperidine-1-carboxylate;RCXJVQLRZJXWNM-BDAKNGLRSA-N;FCH5679722;FCH3926551;PB33609;AK171352;AK172479;tert-Butyl;(2R,4S)-rel-tert-Butyl4-hydroxy-2-methylpiperidine-1-carboxylate;DTXSID201149596;A864927;AKOS025289788;trans-1-Boc-4-Hydroxy-2-methylpiperidine;CS-0048630;790668-06-3;SCHEMBL9312524;tert-butyl (2r,4s)-4-hydroxy-2-methyl-1-piperidinecarboxylate;(trans)-tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate;152491-46-8;rel-1,1-Dimethylethyl (2R,4S)-4-hydroxy-2-methyl-1-piperidinecarboxylate;AMY34471;MFCD22415237;(2R,4S)-1-Boc-4-Hydroxy-2-Methylpiperidine;AS-34681;CGA49146;A883903;trans 1-CBZ-2-METHYL-PIPERIDIN-4-OL;

标识符

MDL:
MFCD22415237
InChIKey:
RCXJVQLRZJXWNM-BDAKNGLRSA-N
Inchi:
1S/C11H21NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
SMILES:
O[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1

(2R,4S)-4-羟基-2-甲基哌啶-1-羧酸叔丁酯(790668-06-3)物化性质

实验特性

  • LogP : 1.70460
  • PSA : 49.77000

计算特性

  • 精确分子量 : 215.15200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 215.15214353g/mol
  • 重原子数量 : 15
  • 复杂度 : 235
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.4
  • 拓扑分子极性表面积 : 49.8

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