1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-yn-1-one
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-2249 |
| Compound Name: | 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-yn-1-one |
| Molecular Weight: | 286.3 |
| Molecular Formula: | C16 H15 F N2 O2 |
| Smiles: | CC#CC(N1CCC(CC1)c1c2ccc(cc2on1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4995 |
| logD: | 3.4995 |
| logSw: | -3.5721 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.558 |
| InChI Key: | CMTNLQZIWOCCIG-UHFFFAOYSA-N |