A1CBJ
Summary
| Name: | 1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine |
| Formula: | C13 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 219.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine |
| OpenEye OEToolkits | 3.1.0.0 | 1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)N1CCN(Cc2ccccn2)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H21N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3-6,12H,7-11H2,1-2H3 |
| InChIKey | InChI | 1.06 | LLHCLZMIMOEPFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1CCN(CC1)Cc2ccccn2 |
| SMILES | CACTVS | 3.385 | CC(C)N1CCN(CC1)Cc2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CCN(CC1)Cc2ccccn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)N1CCN(CC1)Cc2ccccn2 |
