N-{3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl}but-2-ynamide
Chemical Structure Depiction of
N-{3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl}but-2-ynamide
N-{3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl}but-2-ynamide
Compound characteristics
| Compound ID: | T001-2112 |
| Compound Name: | N-{3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl}but-2-ynamide |
| Molecular Weight: | 313.44 |
| Molecular Formula: | C19 H27 N3 O |
| Smiles: | CC#CC(NCCCN1CCN(CC1)c1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3078 |
| logD: | 2.6204 |
| logSw: | -3.4858 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4933 |
| InChI Key: | TUKVMXVINAWVKV-UHFFFAOYSA-N |