2-(4-benzylpiperazin-1-yl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1)
2-(4-benzylpiperazin-1-yl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y021-0800 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 426 |
| Molecular Formula: | C25 H31 N3 O |
| Salt: | HCl |
| Smiles: | CC1=CC(C)(C)N(C(CN2CCN(CC2)Cc2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.675 |
| logD: | 3.536 |
| logSw: | -3.9578 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 21.3413 |
| InChI Key: | MMSJRHAKVKCCPI-UHFFFAOYSA-N |