1174020-42-8 ((3R,4S)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate,Tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate)

CAS号:
1174020-42-8
中文名称:
(3R,4S)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
英文名称:
Tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
分子式:
C10H18FNO3
分子量:
219.25322675705

(3R,4S)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate(1174020-42-8)名称与标识符

名称

中文别名:
(3R,4S)-3-氟-4-羟基哌啶-1-羧酸叔丁酯;
英文别名:
(3R,4S)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-butyl (3,4-cis)-3-fluoro-4-hydroxypiperidine-1-carboxylate;(3R,4S)-1-Boc-3-fluoro-4-hydroxypiperidine;CIS-1-BOC-3-FLUORO-4-HYDROXYPIPERIDINE;tert-butyl cis-3-fluoro-4-hydroxypiperidine-1-carboxylate;cis-tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;(cis)-3-fluoro-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester;1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3S,4S;SS-4802;tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate >98% ee;(-)-(3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester;(3R,4S)-tert-butyl3-fluoro-4-hydroxypiperidine-1-carboxylate;(+/-)-cis-3-Fluoro-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester;1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-;cis(+/-)tert-butyl-3-fluoro-4-hydroxypiperidine-1-carboxylate;1-Boc-3R-fluoro-4S-piperidinol;rac-tert-butyl cis-3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-Butyl(3>R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate;ZWB02042;cis(+/-)-tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;MFCD18633012;SCHEMBL255934;(+/-)-tert-Butyl cis-3-fluoro-4-hydroxypiperidine-1-carboxylate;955028-88-3;N-Boc-(3R,4S)-3-Fluoro-4-Hydroxypiperidine;XRNLYXKYODGLMI-SFYZADRCSA-N;AKOS025290762;1174020-42-8;CS-0048560;cis-3-fluoro-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester;cis-1-Boc-3-fluoro-4-hydroxypiperidine, tech;FNB02888;

标识符

MDL:
MFCD18633012
InChIKey:
XRNLYXKYODGLMI-SFYZADRCSA-N
Inchi:
1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m1/s1
SMILES:
F[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O

(3R,4S)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate(1174020-42-8)物化性质

实验特性

  • LogP : 1.26410
  • PSA : 49.77000

计算特性

  • 精确分子量 : 219.12700
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 219.12707160g/mol
  • 重原子数量 : 15
  • 复杂度 : 239
  • 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
  • 拓扑分子极性表面积 : 49.8

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