TL;DR: Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride (CAS 124444-90-2) is a chemical compound with molecular formula C18H23Cl2N3O2 and molecular weight 383.11673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(3-ethoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
Also Known As: B-1 286, 1-(3-Ethoxyphenyl)-4-(3-pyridinylcarbonyl)piperazine dihydrochloride, Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride, [4-(3-ethoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone dihydrochloride, [4-(3-Ethoxyphenyl)piperazin-1-yl](pyridin-3-yl)methanone--hydrogen chloride (1/2)
| Molecular Formula | C18H23Cl2N3O2 |
| Molecular Weight | 383.11673 g/mol |
| XLogP | 3.2863 |
| Topological Polar Surface Area (TPSA) | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.11673 Da |
| Heavy Atoms | 25 |
| Complexity | 382.0 |
| SMILES | CCOC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CN=CC=C3.Cl.Cl |
| InChIKey | KNGPJAYLIMANMY-UHFFFAOYSA-N |
The XLogP value of 3.2863 indicates that Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.7 Ų, Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride is 124444-90-2.
The molecular formula of Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride is C18H23Cl2N3O2.
The molecular weight of Piperazine, 1-(3-ethoxyphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride is 383.11673 g/mol.
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