TL;DR: 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate (CAS 1048345-99-8) is a chemical compound with molecular formula C25H37N3O5 and molecular weight 459.27332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine;oxalic acid
Also Known As: 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate, 1-[1-(3-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine; oxalic acid, IUPAC: 1-[1-(6-bicyclo[2.2.1]heptyl)-4-piperidyl]-4-(2-methoxyphenyl)piperazine; Oxalic Acid
| Molecular Formula | C25H37N3O5 |
| Molecular Weight | 459.27332 g/mol |
| XLogP | 2.6258 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.27332 Da |
| Heavy Atoms | 33 |
| Complexity | 556.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C4CC5CCC4C5.C(=O)(C(=O)O)O |
| InChIKey | VFCZUQNZMIINKA-UHFFFAOYSA-N |
The XLogP value of 2.6258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate. Following Lipinski's Rule of Five, 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate is 1048345-99-8.
The molecular formula of 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate is C25H37N3O5.
The molecular weight of 1-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-4-(2-methoxyphenyl)piperazine oxalate is 459.27332 g/mol.
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