HJQ
Summary
| Name: | (2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine |
| Formula: | C18 H28 F N3 |
| Formal charge: | 0 |
| Formula weight: | 305.433 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H28FN3/c1-20-11-12-21(2)18(14-20)8-10-22-9-7-16(13-22)15-3-5-17(19)6-4-15/h3-6,16,18H,7-14H2,1-2H3/t16-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | CWUVXNOWKCDEGI-FUHWJXTLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(C)[C@H](CCN2CC[C@@H](C2)c3ccc(F)cc3)C1 |
| SMILES | CACTVS | 3.385 | CN1CCN(C)[CH](CCN2CC[CH](C2)c3ccc(F)cc3)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN([C@@H](C1)CCN2CC[C@@H](C2)c3ccc(cc3)F)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(C(C1)CCN2CCC(C2)c3ccc(cc3)F)C |
