1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate
TL;DR: 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate (CAS 1048376-38-0) is a chemical compound with molecular formula C20H29N3O6 and molecular weight 407.20563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]azepane;oxalic acid
Also Known As: 1-(1-(3-nitrobenzyl)piperidin-4-yl)azepane oxalate, 1-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]azepane; oxalic acid, IUPAC: 1-[1-[(3-nitrophenyl)methyl]-4-piperidyl]azepane; Oxalic Acid
Technical Specifications
| Molecular Formula | C20H29N3O6 |
| Molecular Weight | 407.20563 g/mol |
| XLogP | 2.5908 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.20563 Da |
| Heavy Atoms | 29 |
| Complexity | 441.0 |
| SMILES | C1CCCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O |
| InChIKey | VLBURLFARVKRPP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate
Property Insights of 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate
The XLogP value of 2.5908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate. Following Lipinski's Rule of Five, 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate has 2 hydrogen bond donor(s) and 8 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-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate?
The CAS number of 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate is 1048376-38-0.
What is the molecular formula of 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate?
The molecular formula of 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate is C20H29N3O6.
What is the molecular weight of 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate?
The molecular weight of 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate is 407.20563 g/mol.
Where can I buy 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate?
You can request a quote for 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate?
Yes, CoreyChem provides custom synthesis services for 1-(1-(3-Nitrobenzyl)piperidin-4-yl)azepane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.