A1CS1
Summary
| Name: | (3S)-3-(4-hydroxyphenyl)piperazin-2-one |
| Formula: | C10 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 192.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-3-(4-hydroxyphenyl)piperazin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 3-(4-hydroxyphenyl)piperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NCCNC1c1ccc(O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O2/c13-8-3-1-7(2-4-8)9-10(14)12-6-5-11-9/h1-4,9,11,13H,5-6H2,(H,12,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | ADKIVUSTQMRGNM-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)[C@@H]2NCCNC2=O |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)[CH]2NCCNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C2C(=O)NCCN2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C2C(=O)NCCN2)O |
