1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate 分子结构式
HCID11418068

1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate

C14H24INO4397.25 g/molCAS 213013-98-0

IDENTITY

结构与身份

标准SMILES
CCOC(=O)C1(CI)CCN(C(=O)OC(C)(C)C)CC1
InChIKey
FKZDQBQVWKAEHH-UHFFFAOYSA-N
分子式
C14H24INO4
平均分子量
397.25 g/mol
单同位素质量
397.07501

COMPUTED

结构计算性质

已同步
XLogP
2.8
极性表面积
55.8 Ų
氢键供体
0
氢键受体
4
可旋转键
6
重原子
20
形式电荷
0
复杂度
357

ALIASES

名称与别名

共 17 条
213013-98-01-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylateEthyl 4-(iodomethyl)piperidine-4-carboxylate, N-BOC protectedMFCD099521191-O-tert-butyl 4-O-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylateSCHEMBL6188518DTXSID10465282FKZDQBQVWKAEHH-UHFFFAOYSA-NAKOS027383095AB92400PS-9862DA-43273H52261Ethyl 1-Boc-4-(iodomethyl)piperidine-4-carboxylate1-tert-Butyl4-ethyl4-(iodomethyl)piperidine-1,4-dicarboxylate1-(tert-Butyl) 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate4-Ethyl 1-(2-methyl-2-propanyl) 4-(iodomethyl)-1,4-piperidinedicarboxylate

REACTIONS

参与反应

5
HRID 278329 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06358980B1

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HRID 278333 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06358980B1

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HRID 353547 反应方程式

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06753337B2

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HRID 353551 反应方程式

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06753337B2

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HRID 665517 反应方程式

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

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