1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0109 |
| Compound Name: | 1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1) |
| Molecular Weight: | 432.79 |
| Molecular Formula: | C22 H23 Cl N O |
| Salt: | Br- |
| Smiles: | C1CC[N+](CC1)(CC#Cc1ccccc1)CC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0469 |
| logD: | 5.0469 |
| logSw: | -5.3014 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.1123 |
| InChI Key: | HPCMONIPUVBCCY-UHFFFAOYSA-N |