(4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
TL;DR: (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone (CAS 313267-45-7) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-nitrophenyl)-(4-methylpiperidin-1-yl)methanone
Also Known As: 4-methyl-1-(4-methyl-3-nitrobenzoyl)piperidine, (4-methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone, BAS 00463510, 4-methyl-3-nitrophenyl 4-methylpiperidyl ketone, (4-methyl-3-nitrophenyl)-(4-methylpiperidin-1-yl)methanone
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 313267-45-7 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] |
| InChIKey | VVHGSMPPGZGSKP-UHFFFAOYSA-N |
Product Overview
(4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone (CAS 313267-45-7), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: (4-methyl-3-nitrophenyl)-(4-methylpiperidin-1-yl)methanone.
Chemical Property Profile of (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
Property Insights of (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone. Following Lipinski's Rule of Five, (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)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-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone?
The CAS number of (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone is 313267-45-7.
What is the molecular formula of (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone?
The molecular formula of (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone is C14H18N2O3.
What is the molecular weight of (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone?
The molecular weight of (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone is 262.13 g/mol.
Where can I buy (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone?
You can request a quote for (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.