2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile
TL;DR: 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile (CAS 848906-93-4) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperidin-1-yl)-5-nitrobenzonitrile
Also Known As: 2-(4-methylpiperidin-1-yl)-5-nitrobenzonitrile, BB 0246142, 2-(4-Methyl-piperidin-1-yl)-5-nitro-benzonitril e
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 2.70278 |
| Topological Polar Surface Area | 70.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 499.4481 |
Chemical Identifiers
| CAS Number | 848906-93-4 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile (CAS 848906-93-4), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 2-(4-methylpiperidin-1-yl)-5-nitrobenzonitrile.
Chemical Property Profile of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile
Property Insights of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile
The XLogP value of 2.70278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile. The TPSA of 70.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile has 0 hydrogen bond donor(s) and 4 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 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile?
The CAS number of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile is 848906-93-4.
What is the molecular formula of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile?
The molecular formula of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile is C13H15N3O2.
What is the molecular weight of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile?
The molecular weight of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile is 245.12 g/mol.
Where can I buy 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile?
You can request a quote for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.