A1DOL
Summary
| Name: | (3S)-3-(2-bromophenyl)-1-cyclopropylpiperazine |
| Formula: | C13 H17 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 281.191 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-3-(2-bromophenyl)-1-cyclopropylpiperazine |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-3-(2-bromophenyl)-1-cyclopropyl-piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccccc1C1CN(CCN1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H17BrN2/c14-12-4-2-1-3-11(12)13-9-16(8-7-15-13)10-5-6-10/h1-4,10,13,15H,5-9H2/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | OAKZIGUQGQZGLK-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccccc1[C@H]2CN(CCN2)C3CC3 |
| SMILES | CACTVS | 3.385 | Brc1ccccc1[CH]2CN(CCN2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)[C@H]2CN(CCN2)C3CC3)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)C2CN(CCN2)C3CC3)Br |
