3-Benzyl-1-(4-nitrophenyl)piperidine
TL;DR: 3-Benzyl-1-(4-nitrophenyl)piperidine (CAS 136423-31-9) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-1-(4-nitrophenyl)piperidine
Also Known As: 3-benzyl-1-(4-nitrophenyl)piperidine
Technical Specifications
| Molecular Formula | C18H20N2O2 |
| Molecular Weight | 296.15247 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.15247 Da |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
| SMILES | C1CC(CN(C1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3 |
| InChIKey | OHXSQASPXUFKGP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzyl-1-(4-nitrophenyl)piperidine
Property Insights of 3-Benzyl-1-(4-nitrophenyl)piperidine
The XLogP value of 4.6 indicates that 3-Benzyl-1-(4-nitrophenyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 3-Benzyl-1-(4-nitrophenyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1-(4-nitrophenyl)piperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Benzyl-1-(4-nitrophenyl)piperidine?
The CAS number of 3-Benzyl-1-(4-nitrophenyl)piperidine is 136423-31-9.
What is the molecular formula of 3-Benzyl-1-(4-nitrophenyl)piperidine?
The molecular formula of 3-Benzyl-1-(4-nitrophenyl)piperidine is C18H20N2O2.
What is the molecular weight of 3-Benzyl-1-(4-nitrophenyl)piperidine?
The molecular weight of 3-Benzyl-1-(4-nitrophenyl)piperidine is 296.15247 g/mol.
Where can I buy 3-Benzyl-1-(4-nitrophenyl)piperidine?
You can request a quote for 3-Benzyl-1-(4-nitrophenyl)piperidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzyl-1-(4-nitrophenyl)piperidine?
Yes, CoreyChem provides custom synthesis services for 3-Benzyl-1-(4-nitrophenyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.