ZW5
Summary
| Name: | 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine |
| Formula: | C12 H17 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine |
| OpenEye OEToolkits | 2.0.7 | 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1F)CN1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H17FN2O/c1-16-12-3-2-10(8-11(12)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3 |
| InChIKey | InChI | 1.06 | DOHKJEHZIZZYLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CN2CCNCC2)cc1F |
| SMILES | CACTVS | 3.385 | COc1ccc(CN2CCNCC2)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1F)CN2CCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1F)CN2CCNCC2 |
