结构:CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
HCID23081232

Tert-butyl 4-(4-hydroxybenzoyl)piperazine-1-carboxylate

C16H22N2O4306.36 g/molCAS 681482-86-0

IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIKey
BRPBUWZNHVHHCX-UHFFFAOYSA-N
分子式
C16H22N2O4
平均分子量
306.36 g/mol
单同位素质量
306.15795719

COMPUTED

结构计算性质

已同步
XLogP
1.7
极性表面积
70.1 Ų
氢键供体
1
氢键受体
4
可旋转键
3
重原子
22
形式电荷
0
复杂度
403

ALIASES

名称与别名

16
tert-butyl 4-(4-hydroxybenzoyl)piperazine-1-carboxylate681482-86-0MFCD14635732t-Butyl 4-(4-hydroxybenzoyl)piperazine-1-carboxylateSCHEMBL5537347DTXSID10630377BRPBUWZNHVHHCX-UHFFFAOYSA-NGCB48286AB87011-Piperazinecarboxylic acid, 4-(4-hydroxybenzoyl)-, 1,1-dimethylethylesterAKOS026715432CS-0272858EN300-234772F539991tert-butyl4-(4-hydroxybenzoyl)piperazine-1-carboxylateF2145-0878

REACTIONS

参与反应

3
HRID2316253

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

作为生成物
HRID 2316253 方程式

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

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