1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate
TL;DR: 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate (CAS 1048376-32-4) is a chemical compound with molecular formula C22H34N2O4 and molecular weight 390.25186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
Also Known As: 1-(1-(4-ethylbenzyl)piperidin-4-yl)azepane oxalate, 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]azepane; oxalic acid, IUPAC: 1-[1-[(4-ethylphenyl)methyl]-4-piperidyl]azepane; Oxalic Acid
Technical Specifications
| Molecular Formula | C22H34N2O4 |
| Molecular Weight | 390.25186 g/mol |
| XLogP | 3.245 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.25186 Da |
| Heavy Atoms | 28 |
| Complexity | 364.0 |
| SMILES | CCC1=CC=C(C=C1)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O |
| InChIKey | ZXNQSQQMTCWKOF-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate
Property Insights of 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate
The XLogP value of 3.245 indicates that 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate. Following Lipinski's Rule of Five, 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate has 2 hydrogen bond donor(s) and 6 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-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate?
The CAS number of 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate is 1048376-32-4.
What is the molecular formula of 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate?
The molecular formula of 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate is C22H34N2O4.
What is the molecular weight of 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate?
The molecular weight of 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate is 390.25186 g/mol.
Where can I buy 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate?
You can request a quote for 1-(1-(4-Ethylbenzyl)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-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate?
Yes, CoreyChem provides custom synthesis services for 1-(1-(4-Ethylbenzyl)piperidin-4-yl)azepane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.