1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate
TL;DR: 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate (CAS 1048638-97-6) is a chemical compound with molecular formula C21H31BrN2O5 and molecular weight 470.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine;oxalic acid
Also Known As: 1'-(5-bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate, 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine; oxalic acid, IUPAC: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]-3-methyl-piperidine; Oxalic Acid
Technical Specifications
| Molecular Formula | C21H31BrN2O5 |
| Molecular Weight | 470.14163 g/mol |
| XLogP | 3.3096 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.14163 Da |
| Heavy Atoms | 29 |
| Complexity | 431.0 |
| SMILES | CC1CCCN(C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O |
| InChIKey | FBOOXORMKARGQO-UHFFFAOYSA-N |
Chemical Property Profile of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate
Property Insights of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate
The XLogP value of 3.3096 indicates that 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate. Following Lipinski's Rule of Five, 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The CAS number of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate is 1048638-97-6.
What is the molecular formula of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The molecular formula of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate is C21H31BrN2O5.
What is the molecular weight of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The molecular weight of 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate is 470.14163 g/mol.
Where can I buy 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
You can request a quote for 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
Yes, CoreyChem provides custom synthesis services for 1'-(5-Bromo-2-methoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.