K8B
Summary
| Name: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine |
| Formula: | C19 H29 N |
| Formal charge: | 0 |
| Formula weight: | 271.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H29N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h4,7-10,13,16,18H,5-6,11-12,14-15H2,1-3H3/b13-4+ |
| InChIKey | InChI | 1.03 | ZAGXDKMVGYZZKY-YIXHJXPBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C\N1CCC(CC1)CCc2ccc(cc2)C(C)C |
| SMILES | CACTVS | 3.385 | CC=CN1CCC(CC1)CCc2ccc(cc2)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=CN1CCC(CC1)CCc2ccc(cc2)C(C)C |
