K72
Summary
| Name: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine |
| Formula: | C17 H20 F3 N |
| Formal charge: | 0 |
| Formula weight: | 295.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+ |
| InChIKey | InChI | 1.03 | ONJVYKXNJUTMAU-FRKQTSRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C\N1CCC(CC1)\C=C\c2ccc(cc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F |
