HCID21958916

1-(4-Isothiocyanatophenyl)-4-cyclopropylmethylpiperazine

1-(cyclopropylmethyl)-4-(4-isothiocyanatophenyl)piperazine

C15H19N3S273.4 g/molCAS 223786-08-1

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IDENTITY

结构与身份

标准SMILES: S=C=Nc1ccc(N2CCN(CC3CC3)CC2)cc1
InChIKey: ZBBBTXVKONJYGS-UHFFFAOYSA-N
分子式: C15H19N3S
平均分子量: 273.4 g/mol
单同位素质量: 273.12996879

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 50.9 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 333

ALIASES

名称与别名

共 8 条

SCHEMBL57259891-(4-isothiocyanatophenyl)-4-cyclopropylmethylpiperazineZBBBTXVKONJYGS-UHFFFAOYSA-NDTXSID401191729223786-08-11-(4-isothiocyanato-phenyl)-4-cyclopropylmethylpiperazine1-(cyclopropylmethyl)-4-(4-isothiocyanatophenyl)piperazine1-(4-Isothiocyanatophenyl)-4-(1-cyclopropylmethyl)piperazine

REACTIONS