4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine
TL;DR: 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine (CAS 331749-48-5) is a chemical compound with molecular formula C18H19ClN2O2 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1-(4-chloro-2-nitrophenyl)piperidine
Also Known As: 4-benzyl-1-(4-chloro-2-nitrophenyl)piperidine, BAS 00549496, 1-(4-chloro-2-nitrophenyl)-4-benzylpiperidine, 4-Benzyl-1-(4-chloro-2-nitro-phenyl)-piperidine
| Molecular Formula | C18H19ClN2O2 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 4.7073 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.1135 |
| Heavy Atoms | 23 |
| Complexity | 682.67584 |
Chemical Identifiers
| CAS Number | 331749-48-5 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine (CAS 331749-48-5), with molecular formula C18H19ClN2O2 and molecular weight 330.11 g/mol. IUPAC: 4-benzyl-1-(4-chloro-2-nitrophenyl)piperidine.
Chemical Property Profile of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine
Property Insights of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine
The XLogP value of 4.7073 indicates that 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1-(4-chloro-2-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
Frequently Asked Questions
What is the CAS number of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine?
The CAS number of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine is 331749-48-5.
What is the molecular formula of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine?
The molecular formula of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine is C18H19ClN2O2.
What is the molecular weight of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine?
The molecular weight of 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine is 330.11 g/mol.
Where can I buy 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine?
You can request a quote for 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1-(4-chloro-2-nitrophenyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.