1-(3,5-Dinitrobenzoyl)piperidine
TL;DR: 1-(3,5-Dinitrobenzoyl)piperidine (CAS 57499-86-2) is a chemical compound with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dinitrophenyl)-piperidin-1-ylmethanone
Also Known As: 1-(3,5-dinitrobenzoyl)piperidine, (3,5-Dinitrophenyl)(piperidin-1-yl)methanone, Piperidine, 1-(3,5-dinitrobenzoyl)-, (3,5-dinitrophenyl)-piperidin-1-ylmethanone, 3,5-dinitrophenyl piperidyl ketone
| Molecular Formula | C12H13N3O5 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.1291 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0855 |
| Heavy Atoms | 20 |
| Complexity | 533.96124 |
Chemical Identifiers
| CAS Number | 57499-86-2 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(3,5-Dinitrobenzoyl)piperidine (CAS 57499-86-2), with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol. IUPAC: (3,5-dinitrophenyl)-piperidin-1-ylmethanone.
Chemical Property Profile of 1-(3,5-Dinitrobenzoyl)piperidine
Property Insights of 1-(3,5-Dinitrobenzoyl)piperidine
The XLogP value of 2.1291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dinitrobenzoyl)piperidine. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Dinitrobenzoyl)piperidine. Following Lipinski's Rule of Five, 1-(3,5-Dinitrobenzoyl)piperidine has 0 hydrogen bond donor(s) and 5 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-(3,5-Dinitrobenzoyl)piperidine?
The CAS number of 1-(3,5-Dinitrobenzoyl)piperidine is 57499-86-2.
What is the molecular formula of 1-(3,5-Dinitrobenzoyl)piperidine?
The molecular formula of 1-(3,5-Dinitrobenzoyl)piperidine is C12H13N3O5.
What is the molecular weight of 1-(3,5-Dinitrobenzoyl)piperidine?
The molecular weight of 1-(3,5-Dinitrobenzoyl)piperidine is 279.09 g/mol.
Where can I buy 1-(3,5-Dinitrobenzoyl)piperidine?
You can request a quote for 1-(3,5-Dinitrobenzoyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dinitrobenzoyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dinitrobenzoyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.