TL;DR: 1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid (CAS 1185435-04-4) is a chemical compound with molecular formula C19H28ClN3O6S and molecular weight 461.13873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid
Also Known As: 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid, 1-{1-[(4-chlorophenyl)sulfonyl]-4-piperidinyl}-4-ethylpiperazine oxalate, 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine; oxalic acid, IUPAC: 1-[1-(4-chlorophenyl)sulfonyl-4-piperidyl]-4-ethyl-piperazine; Oxalic Acid, Piperazine, 1-[1-[(4-chlorophenyl)sulfonyl]-4-piperidinyl]-4-ethyl-, ethanedioate (1:1)
| Molecular Formula | C19H28ClN3O6S |
| Molecular Weight | 461.13873 g/mol |
| XLogP | 1.2862 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.13873 Da |
| Heavy Atoms | 30 |
| Complexity | 558.0 |
| SMILES | CCN1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O |
| InChIKey | DLURQXZJGZSMQK-UHFFFAOYSA-N |
The XLogP value of 1.2862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid. Following Lipinski's Rule of Five, 1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid is 1185435-04-4.
The molecular formula of 1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid is C19H28ClN3O6S.
The molecular weight of 1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-ethylpiperazine;oxalic acid is 461.13873 g/mol.
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