TL;DR: 1-(1-(3-Chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate (CAS 1048346-20-8) is a chemical compound with molecular formula C24H30ClN3O4 and molecular weight 459.19247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
Also Known As: 1-(1-(3-chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate, 1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine; oxalic acid, IUPAC: 1-[1-[(3-chlorophenyl)methyl]-4-piperidyl]-4-phenyl-piperazine; Oxalic Acid
| Molecular Formula | C24H30ClN3O4 |
| Molecular Weight | 459.19247 g/mol |
| XLogP | 3.2822 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.19247 Da |
| Heavy Atoms | 32 |
| Complexity | 481.0 |
| SMILES | C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)Cl.C(=O)(C(=O)O)O |
| InChIKey | SFYGLZONXMBMBV-UHFFFAOYSA-N |
The XLogP value of 3.2822 indicates that 1-(1-(3-Chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(3-Chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate. Following Lipinski's Rule of Five, 1-(1-(3-Chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(1-(3-Chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate is 1048346-20-8.
The molecular formula of 1-(1-(3-Chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate is C24H30ClN3O4.
The molecular weight of 1-(1-(3-Chlorobenzyl)piperidin-4-yl)-4-phenylpiperazine oxalate is 459.19247 g/mol.
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