1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium
1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium
Compound characteristics
Compound ID: | 5504-0109 |
Compound Name: | 1-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium |
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 |