(2E)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
(2E)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
(2E)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-3111 |
| Compound Name: | (2E)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C16 H20 N2 O3 |
| Smiles: | CC1CC(C)CN(C1)C(/C=C/c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3509 |
| logD: | 3.3509 |
| logSw: | -3.7968 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.307 |
| InChI Key: | VFIFRHCLZDRSDO-UHFFFAOYSA-N |