1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-phenylpropan-1-one
Chemical Structure Depiction of
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-phenylpropan-1-one
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S564-0591 |
| Compound Name: | 1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-phenylpropan-1-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C20 H26 N4 O |
| Smiles: | C1CN(CCC1Cc1nnc(C2CC2)[nH]1)C(CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9589 |
| logD: | 2.9554 |
| logSw: | -3.3178 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.386 |
| InChI Key: | YRQYZDSIHXXZAH-UHFFFAOYSA-N |