N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide
Chemical Structure Depiction of
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide
Compound characteristics
| Compound ID: | T001-2003 |
| Compound Name: | N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide |
| Molecular Weight: | 298.43 |
| Molecular Formula: | C19 H26 N2 O |
| Smiles: | CC#CC(NCC1CCN(CC1)Cc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8669 |
| logD: | 1.5897 |
| logSw: | -3.7835 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.4425 |
| InChI Key: | JBCAJHBTKJZZDB-UHFFFAOYSA-N |