5-nitro-2-[(piperidin-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-nitro-2-[(piperidin-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
5-nitro-2-[(piperidin-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1160-0083 |
| Compound Name: | 5-nitro-2-[(piperidin-1-yl)methyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 289.29 |
| Molecular Formula: | C14 H15 N3 O4 |
| Smiles: | C1CCN(CC1)CN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.079 |
| logD: | 2.0447 |
| logSw: | -2.8915 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.299 |
| InChI Key: | CGYBICLOHDTLAD-UHFFFAOYSA-N |