1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S564-0033 |
| Compound Name: | 1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 326.44 |
| Molecular Formula: | C19 H26 N4 O |
| Smiles: | Cc1nnc(CC2CCN(CC2)C(CCCc2ccccc2)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8785 |
| logD: | 2.8731 |
| logSw: | -3.3317 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.748 |
| InChI Key: | OCXGHHWCQMSZJR-UHFFFAOYSA-N |