1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S564-0438 |
| Compound Name: | 1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 298.39 |
| Molecular Formula: | C17 H22 N4 O |
| Smiles: | CCC(N1CCC(CC1)Cc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5875 |
| logD: | 2.5517 |
| logSw: | -2.754 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.135 |
| InChI Key: | NJPAUBNSCWZYBI-UHFFFAOYSA-N |