1-{2-Nitrobenzoyl}-4-methylpiperidine
TL;DR: 1-{2-Nitrobenzoyl}-4-methylpiperidine (CAS 329059-87-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylpiperidin-1-yl)-(2-nitrophenyl)methanone
Also Known As: 1-{2-Nitrobenzoyl}, 1-{2-nitrobenzoyl}-4-methylpiperidine, 4-methylpiperidyl 2-nitrophenyl ketone, 4-methyl-1-(2-nitrobenzoyl)piperidine, (4-methylpiperidin-1-yl)-(2-nitrophenyl)methanone
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 329059-87-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | GUZQWLDWGVOZLL-UHFFFAOYSA-N |
Product Overview
1-{2-Nitrobenzoyl}-4-methylpiperidine (CAS 329059-87-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (4-methylpiperidin-1-yl)-(2-nitrophenyl)methanone.
Chemical Property Profile of 1-{2-Nitrobenzoyl}-4-methylpiperidine
Property Insights of 1-{2-Nitrobenzoyl}-4-methylpiperidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-Nitrobenzoyl}-4-methylpiperidine. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-Nitrobenzoyl}-4-methylpiperidine. Following Lipinski's Rule of Five, 1-{2-Nitrobenzoyl}-4-methylpiperidine 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 1-{2-Nitrobenzoyl}-4-methylpiperidine?
The CAS number of 1-{2-Nitrobenzoyl}-4-methylpiperidine is 329059-87-2.
What is the molecular formula of 1-{2-Nitrobenzoyl}-4-methylpiperidine?
The molecular formula of 1-{2-Nitrobenzoyl}-4-methylpiperidine is C13H16N2O3.
What is the molecular weight of 1-{2-Nitrobenzoyl}-4-methylpiperidine?
The molecular weight of 1-{2-Nitrobenzoyl}-4-methylpiperidine is 248.12 g/mol.
Where can I buy 1-{2-Nitrobenzoyl}-4-methylpiperidine?
You can request a quote for 1-{2-Nitrobenzoyl}-4-methylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-Nitrobenzoyl}-4-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-Nitrobenzoyl}-4-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.