1-(4-nitrophenyl)-4-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperazine
Chemical Structure Depiction of
1-(4-nitrophenyl)-4-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperazine
1-(4-nitrophenyl)-4-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperazine
Compound characteristics
| Compound ID: | 8018-7009 |
| Compound Name: | 1-(4-nitrophenyl)-4-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]piperazine |
| Molecular Weight: | 407.94 |
| Molecular Formula: | C21 H29 N3 O3 |
| Salt: | HCl |
| Smiles: | CC1(C)CCCC(C)(C#CCN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.115 |
| logD: | 4.1131 |
| logSw: | -4.2068 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.638 |
| InChI Key: | MSFIGTAAZXPDHC-NRFANRHFSA-N |