(4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone
TL;DR: (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone (CAS 333350-56-4) is a chemical compound with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone
Also Known As: BAS 00785144, 4-methoxy-3-nitrophenyl 4-benzylpiperidyl ketone, (4-benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone, (4-benzylpiperidin-1-yl)(4-methoxy-3-nitrophenyl)methanone, (4-BENZYLPIPERIDINO)(4-METHOXY-3-NITROPHENYL)METHANONE
| Molecular Formula | C20H22N2O4 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 3.6983 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.15796 |
| Heavy Atoms | 26 |
| Complexity | 783.65314 |
Chemical Identifiers
| CAS Number | 333350-56-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
(4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone (CAS 333350-56-4), with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol. IUPAC: (4-benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone.
Chemical Property Profile of (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone
Property Insights of (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone
The XLogP value of 3.6983 indicates that (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 4 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-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone?
The CAS number of (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone is 333350-56-4.
What is the molecular formula of (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone?
The molecular formula of (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone is C20H22N2O4.
What is the molecular weight of (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone?
The molecular weight of (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone is 354.16 g/mol.
Where can I buy (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone?
You can request a quote for (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.