K6Q
Summary
| Name: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine |
| Formula: | C16 H20 F N |
| Formal charge: | 0 |
| Formula weight: | 245.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+ |
| InChIKey | InChI | 1.03 | MSBXCAPJLPROOO-FRKQTSRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C\N1CCC(CC1)\C=C\c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CC=CN1CCC(CC1)C=Cc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=CN1CCC(CC1)C=Cc2ccc(cc2)F |
