1-(3-Methyl-2-nitrobenzoyl)-piperidine
TL;DR: 1-(3-Methyl-2-nitrobenzoyl)-piperidine (CAS 600128-55-0) 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.
(3-methyl-2-nitrophenyl)-piperidin-1-ylmethanone
Also Known As: 1-(3-METHYL-2-NITROBENZOYL)-PIPERIDINE, (3-methyl-2-nitrophenyl)-piperidin-1-ylmethanone, (3-methyl-2-nitro-phenyl)-(1-piperidyl)methanone, BENZAMIDE,3-METHYL-2-NITRO-N-3-PYRIDINYL, PIPERIDINE, 1-(3-METHYL-2-NITROBENZOYL)-
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.52932 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 479.12476 |
Chemical Identifiers
| CAS Number | 600128-55-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)N2CCCCC2)[N+](=O)[O-] |
Product Overview
1-(3-Methyl-2-nitrobenzoyl)-piperidine (CAS 600128-55-0), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (3-methyl-2-nitrophenyl)-piperidin-1-ylmethanone.
Chemical Property Profile of 1-(3-Methyl-2-nitrobenzoyl)-piperidine
Property Insights of 1-(3-Methyl-2-nitrobenzoyl)-piperidine
The XLogP value of 2.52932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-2-nitrobenzoyl)-piperidine. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methyl-2-nitrobenzoyl)-piperidine. Following Lipinski's Rule of Five, 1-(3-Methyl-2-nitrobenzoyl)-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 1-(3-Methyl-2-nitrobenzoyl)-piperidine?
The CAS number of 1-(3-Methyl-2-nitrobenzoyl)-piperidine is 600128-55-0.
What is the molecular formula of 1-(3-Methyl-2-nitrobenzoyl)-piperidine?
The molecular formula of 1-(3-Methyl-2-nitrobenzoyl)-piperidine is C13H16N2O3.
What is the molecular weight of 1-(3-Methyl-2-nitrobenzoyl)-piperidine?
The molecular weight of 1-(3-Methyl-2-nitrobenzoyl)-piperidine is 248.12 g/mol.
Where can I buy 1-(3-Methyl-2-nitrobenzoyl)-piperidine?
You can request a quote for 1-(3-Methyl-2-nitrobenzoyl)-piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-2-nitrobenzoyl)-piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-2-nitrobenzoyl)-piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.