2-(3,4-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
2-(3,4-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D345-0058 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 403.95 |
| Molecular Formula: | C22 H29 N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C(N1CCN(CCc2ccccn2)CC1)=O)Oc1ccc(C)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0709 |
| logD: | 3.0147 |
| logSw: | -3.1011 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.738 |
| InChI Key: | ZNNYMWCRVLVVBI-IBGZPJMESA-N |