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结构：CC1CC(O)CCN1C(=O)OC(C)(C)C
HCID22181172

Tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate

C11H21NO3215.29 g/mol
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IDENTITY

结构与身份

标准 SMILES
CC1CC(O)CCN1C(=O)OC(C)(C)C
InChIKey
RCXJVQLRZJXWNM-UHFFFAOYSA-N
分子式
C11H21NO3
平均分子量
215.29 g/mol
单同位素质量
215.15214353

COMPUTED

结构计算性质

已同步
XLogP
1.4
极性表面积
49.8 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
15
形式电荷
0
复杂度
234

ALIASES

名称与别名

共 34 条
208046-23-5tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate4-HYDROXY-2-METHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERMFCD164970401-Boc-4-hydroxy-2-methylpiperidine1-Piperidinecarboxylic acid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester152491-46-8(trans)-tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylatetert-butyl cis-4-hydroxy-2-methylpiperidine-1-carboxylateSCHEMBL2505132RCXJVQLRZJXWNM-UHFFFAOYSA-NCGA49142AKOS023593969PB24490PB33565PB33609SB15685SB15686SB15687SB15688

REACTIONS

参与反应

9 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID99077

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

作为生成物
HRID 99077 方程式

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

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HRID148750

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

作为反应物
HRID 148750 方程式

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

查看条件与参与物
HRID961128

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 961128 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1137998

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

作为反应物
HRID 1137998 方程式

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

查看条件与参与物
HRID1151437

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

作为生成物
HRID 1151437 方程式

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

查看条件与参与物