N-{3-[2-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide
Chemical Structure Depiction of
N-{3-[2-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide
N-{3-[2-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide
Compound characteristics
| Compound ID: | T001-2081 |
| Compound Name: | N-{3-[2-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}but-2-ynamide |
| Molecular Weight: | 313.44 |
| Molecular Formula: | C19 H27 N3 O |
| Smiles: | CC#CC(NCCCN1CCN(CC1C)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7132 |
| logD: | 2.0855 |
| logSw: | -3.0033 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.1783 |
| InChI Key: | NEFWMZMRZHQICV-KRWDZBQOSA-N |