(4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone
TL;DR: (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone (CAS 312276-50-9) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone
Also Known As: 4-Benzyl-1-{3-nitro-4-methylbenzoyl}, BAS 00501622, (4-benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone, 4-benzyl-1-{3-nitro-4-methylbenzoyl}piperidine, 4-methyl-3-nitrophenyl 4-benzylpiperidyl ketone
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 312276-50-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | QLQZMZMJJLZTDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone (CAS 312276-50-9), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: (4-benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone
Property Insights of (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone
The XLogP value of 4.3 indicates that (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone 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-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone?
The CAS number of (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone is 312276-50-9.
What is the molecular formula of (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone?
The molecular formula of (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone is C20H22N2O3.
What is the molecular weight of (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone?
The molecular weight of (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone is 338.16 g/mol.
Where can I buy (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone?
You can request a quote for (4-Benzylpiperidin-1-yl)-(4-methyl-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-methyl-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperidin-1-yl)-(4-methyl-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.