1-(2-oxo-2-phenylethyl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2-oxo-2-phenylethyl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
1-(2-oxo-2-phenylethyl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0106 |
| Compound Name: | 1-(2-oxo-2-phenylethyl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1) |
| Molecular Weight: | 398.34 |
| Molecular Formula: | C22 H24 N O |
| Salt: | Br- |
| Smiles: | C1CC[N+](CC1)(CC#Cc1ccccc1)CC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3471 |
| logD: | 4.3471 |
| logSw: | -4.2371 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.1123 |
| InChI Key: | CHJPQWSSICELNA-UHFFFAOYSA-N |