2-(3-methylphenyl)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-(3-methylphenyl)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S564-0124 |
| Compound Name: | 2-(3-methylphenyl)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | Cc1cccc(CC(N2CCC(CC2)Cc2nnc(C)[nH]2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6809 |
| logD: | 2.6755 |
| logSw: | -2.734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.748 |
| InChI Key: | ZUPFNLRKJFUELZ-UHFFFAOYSA-N |