N-(2-Nitroisobutyl)piperidine
TL;DR: N-(2-Nitroisobutyl)piperidine (CAS 17697-46-0) is a chemical compound with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-2-nitropropyl)piperidine
Also Known As: N-(2-Nitroisobutyl)piperidine, 1-(2-methyl-2-nitropropyl)piperidine, Piperidine, N-(2-methyl-2-nitropropyl)-, 1,1-Dimethyl-1-nitro-2-piperidinoethan, 1-piperidyl-2-methyl-2-nitropropane
| Molecular Formula | C9H18N2O2 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.13683 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 17697-46-0 |
|---|---|
| SMILES | CC(C)(CN1CCCCC1)[N+](=O)[O-] |
| InChIKey | KWULWMUTIBFSHV-UHFFFAOYSA-N |
Product Overview
N-(2-Nitroisobutyl)piperidine (CAS 17697-46-0), with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol. IUPAC: 1-(2-methyl-2-nitropropyl)piperidine.
Chemical Property Profile of N-(2-Nitroisobutyl)piperidine
Property Insights of N-(2-Nitroisobutyl)piperidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Nitroisobutyl)piperidine. With a topological polar surface area (TPSA) of 49.1 Ų, N-(2-Nitroisobutyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Nitroisobutyl)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 N-(2-Nitroisobutyl)piperidine?
The CAS number of N-(2-Nitroisobutyl)piperidine is 17697-46-0.
What is the molecular formula of N-(2-Nitroisobutyl)piperidine?
The molecular formula of N-(2-Nitroisobutyl)piperidine is C9H18N2O2.
What is the molecular weight of N-(2-Nitroisobutyl)piperidine?
The molecular weight of N-(2-Nitroisobutyl)piperidine is 186.14 g/mol.
Where can I buy N-(2-Nitroisobutyl)piperidine?
You can request a quote for N-(2-Nitroisobutyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Nitroisobutyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Nitroisobutyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.