HCID16203508

tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate

C15H20FN3O4325.34 g/molCAS 154590-34-8

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1
InChIKey: YOLVWCABLVHASL-UHFFFAOYSA-N
分子式: C15H20FN3O4
平均分子量: 325.34 g/mol
单同位素质量: 325.14378429

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 78.6 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 441

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 26 条

154590-34-8tert-butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylateDTXSID00583303RefChem:1099540DTXCID10534068MFCD08443959TERT-BUTYL 4-(2-FLUORO-4-NITROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATEC15H20FN3O43-Fluoro-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]nitrobenzeneYOLVWCABLVHASL-UHFFFAOYSA-NSCHEMBL994347SCHEMBL29536266tert-Butyl4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylateCS-M3038AKOS005072149CA-0603SY104239DB-3529801-Boc-4-(2-fluoro-4-nitrophenyl)piperazineF328915

REACTIONS

参与反应

8 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434726B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434726B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08338426B2

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uspto-grants-2010_03 · 10.6084/m9.figshare.5104873.v1 · US07671058B2

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uspto-grants-2012_09 · 10.6084/m9.figshare.5104873.v1 · US08263772B2

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