N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide
Chemical Structure Depiction of
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide
Compound characteristics
| Compound ID: | T001-2007 |
| Compound Name: | N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)but-2-ynamide |
| Molecular Weight: | 304.82 |
| Molecular Formula: | C17 H21 Cl N2 O |
| Smiles: | CC#CC(NCC1CCN(CC1)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3223 |
| logD: | 1.5057 |
| logSw: | -3.6581 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.4425 |
| InChI Key: | VVTDDBSAXDZYAV-UHFFFAOYSA-N |