TVR
Summary
| Name: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one |
| Formula: | C10 H12 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 209.22 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one |
| OpenEye OEToolkits | 2.0.7 | (6~{S})-4-(3-fluoranylpyridin-2-yl)-6-methyl-piperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccnc1N1CC(=O)NC(C)C1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | ADIKUTCTGUZIDP-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(CC(=O)N1)c2ncccc2F |
| SMILES | CACTVS | 3.385 | C[CH]1CN(CC(=O)N1)c2ncccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN(CC(=O)N1)c2c(cccn2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CC(=O)N1)c2c(cccn2)F |
