HCID58724129

Tert-butyl 4-(2-chlorophenylthio)piperidine-1-carboxylate

tert-butyl 4-(2-chlorophenyl)sulfanylpiperidine-1-carboxylate

C16H22ClNO2S327.9 g/molCAS 911643-98-6

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(Sc2ccccc2Cl)CC1
InChIKey: HOFQGKPYMSEWGC-UHFFFAOYSA-N
分子式: C16H22ClNO2S
平均分子量: 327.9 g/mol
单同位素质量: 327.1059778

COMPUTED

结构计算性质

等待补全

XLogP: 4.5
极性表面积: 54.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 21
形式电荷: 0
复杂度: 351

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 8 条

SCHEMBL70917Tert-butyl 4-(2-chlorophenylthio)piperidine-1-carboxylateHOFQGKPYMSEWGC-UHFFFAOYSA-NDTXSID201163695911643-98-61,1-Dimethylethyl 4-[(2-chlorophenyl)thio]-1-piperidinecarboxylatetert-Butyl 4-[(2-chlorophenyl)sulfanyl]piperidine-1-carboxylate4-(2-chloro-phenylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129376B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129376B2

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uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759339B2

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