8AB
Summary
| Name: | (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine |
| Formula: | C11 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 191.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-methyl-1-(6-methylpyridin-2-yl)piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nc(ccc1)N1CC(C)NCC1 |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | YCMYTWGABUXSEI-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(CCN1)c2cccc(C)n2 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(CCN1)c2cccc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)N2CCN[C@H](C2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)N2CCNC(C2)C |
