1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-phenylethan-1-one
1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | S564-0282 |
| Compound Name: | 1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | CCc1nnc(CC2CCN(CC2)C(Cc2ccccc2)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.5006 |
| logD: | 2.4937 |
| logSw: | -2.5364 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.125 |
| InChI Key: | MIUSAUXHNOACIT-UHFFFAOYSA-N |