2-(4-tert-butylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-tert-butylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-(4-tert-butylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D345-0062 |
| Compound Name: | 2-(4-tert-butylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 417.98 |
| Molecular Formula: | C23 H31 N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)OCC(N1CCN(CCc2ccccn2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2358 |
| logD: | 3.1999 |
| logSw: | -3.1686 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.92 |
| InChI Key: | QOTFTECEBOLCDZ-UHFFFAOYSA-N |