5-hydroxy-3,4,7-trimethyl-6-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
5-hydroxy-3,4,7-trimethyl-6-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
5-hydroxy-3,4,7-trimethyl-6-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3540 |
| Compound Name: | 5-hydroxy-3,4,7-trimethyl-6-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C18 H23 N O3 |
| Smiles: | CC1=C(C)c2c(cc(C)c(CN3CCCCC3)c2O)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.7731 |
| logD: | 2.5632 |
| logSw: | -4.0595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.372 |
| InChI Key: | XBLZFNIQMSHTJA-UHFFFAOYSA-N |