HCID57988980

tert-Butyl 4-((2-bromo-2,2-difluoroacetamido)methyl)-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[[(2-bromo-2,2-difluoroacetyl)amino]methyl]-4-hydroxypiperidine-1-carboxylate

C13H21BrF2N2O4387.22 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)C(F)(F)Br)CC1
InChIKey: MGMUTQWTGBGQHC-UHFFFAOYSA-N
分子式: C13H21BrF2N2O4
平均分子量: 387.22 g/mol
单同位素质量: 386.06528

COMPUTED

结构计算性质

等待补全

XLogP: 1.6
极性表面积: 78.9 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 432

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

tert-Butyl 4-((2-bromo-2,2-difluoroacetamido)methyl)-4-hydroxypiperidine-1-carboxylateSCHEMBL2140670tert-butyl 4-[[(2-bromo-2,2-difluoro-acetyl)amino]methyl]-4-hydroxy-piperidine-1-carboxylate

REACTIONS

相关反应

10 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828996B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828996B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629271B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629271B2

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

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181273B2

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181273B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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