Z6I
Summary
| Name: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine |
| Formula: | C9 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 165.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(5-methyl-1H-pyrazol-4-yl)piperidine |
| OpenEye OEToolkits | 2.0.7 | 4-(5-methyl-1~{H}-pyrazol-4-yl)piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1[NH]ncc1C1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | RUDBDQGQYSXYGD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]ncc1C2CCNCC2 |
| SMILES | CACTVS | 3.385 | Cc1[nH]ncc1C2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cn[nH]1)C2CCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cn[nH]1)C2CCNCC2 |
