1174020-43-9 ((tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate)

CAS号:
1174020-43-9
英文名称:
tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
分子式:
C10H18FNO3
分子量:
219.25322675705

tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate(1174020-43-9)名称与标识符

名称

中文别名:
(3R,4R)-3-氟-4-羟基哌啶-1-羧酸叔丁酯;
英文别名:
trans-tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;(3R,4R)-1-Boc-3-fluoro-4-hydroxypiperidine;tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;(3R,4R)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;trans-1-Boc-3-fluoro-4-hydroxypiperidine;1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-;AS-51603;tert-butyl trans-3-fluoro-4-hydroxypiperidine-1-carboxylate;rac-tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;trans(+/-)-tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;AMY14767;EN300-1699930;AKOS025146810;rac-tert-Butyl trans-3-fluoro-4-hydroxypiperidine-1-carboxylate;SCHEMBL1554983;tert-Butyl-(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;N-Boc-(3R,4R)-3-Fluoro-4-Hydroxypiperidine;tert-butyl?(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;N12472;P13070;955029-44-4;A855073;(3R,4R)-tert-Butyl3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-Butyl-(3R,4R)-3-fluoro-4-hydroxy-piperidine-1-carboxylate;XRNLYXKYODGLMI-HTQZYQBOSA-N;1174020-43-9;CS-0048568;MFCD22123259;A903589;AC-37143;tert-Butyl-trans-3-fluoro-4-hydroxypiperidine-1-carboxylate;

标识符

MDL:
MFCD22123259
InChIKey:
XRNLYXKYODGLMI-HTQZYQBOSA-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

tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate(1174020-43-9)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 : 3
  • 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 : 49.8Ų

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