Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看![1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone 分子结构式](/api/mol/757808/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1
- InChIKey
- AUTPNGXKYQJLBF-UHFFFAOYSA-N
- 分子式
- C19H22N2O
- 平均分子量
- 294.4 g/mol
- 单同位素质量
- 294.17321333
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 23.6 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 348
ALIASES
名称与别名
1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone163733-55-91-[4-(4-Benzyl-piperazin-1-yl)-phenyl]-ethanone1-(4-(4-benzylpiperazin-1-yl)phenyl)ethanoneCHEMBL259802SCHEMBL1482123AUTPNGXKYQJLBF-UHFFFAOYSA-NAKOS000221164DB-102627CS-01170821-[4-(4-benzyl-piperazin-1-yl)-phenyl]ethanone
REACTIONS
