1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S564-0543 |
| Compound Name: | 1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-fluorophenyl)ethan-1-one |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C19 H23 F N4 O |
| Smiles: | C1CN(CCC1Cc1nnc(C2CC2)[nH]1)C(Cc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8179 |
| logD: | 2.8144 |
| logSw: | -3.2976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.386 |
| InChI Key: | JCLZYYGLYCKADY-UHFFFAOYSA-N |