uspto-grants-2004_09 · 10.6084/m9.figshare.5104873.v1 · US06797711B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(C=Cc1ccccc1)N1CCNCC1
- InChIKey
- DLCYXQODDJUHQL-UHFFFAOYSA-N
- 分子式
- C13H16N2O
- 平均分子量
- 216.28 g/mol
- 单同位素质量
- 216.12626314
COMPUTED
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 32.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 251
ALIASES
名称与别名
3-phenyl-1-(piperazin-1-yl)prop-2-en-1-oneN-cinnamoyl piperazineDapoxetine Impurity 104SCHEMBL2909561SCHEMBL9706604DLCYXQODDJUHQL-UHFFFAOYSA-NAKOS0091149291-(1-oxo-3-phenyl-2-propenyl)-piperazineDB-0191363-phenyl-1-piperazin-1-yl-prop-2-en-1-one3-phenyl-1-(piperazin-1-yl) prop-2-en-1-one
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-1977_01 · 10.6084/m9.figshare.5104873.v1 · US04001223
查看uspto-grants-1989_05 · 10.6084/m9.figshare.5104873.v1 · US04826975
查看