![4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile structure](/static/products/860/860611-01-4.png)
4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile
TL;DR: 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile (CAS 860611-01-4) is a chemical compound with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzonitrile
Also Known As: 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile, 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzonitrile, 4-[({2-[4-(hydroxymethyl)piperidin-1-yl]phenyl}methyl)amino]-3-nitrobenzonitrile, 4-[[2-(4-methylolpiperidino)benzyl]amino]-3-nitro-benzonitrile, 4-[[2-[4-(hydroxymethyl)-1-piperidinyl]phenyl]methylamino]-3-nitrobenzonitrile
| Molecular Formula | C20H22N4O3 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 3.28728 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1692 |
| Heavy Atoms | 27 |
| Complexity | 854.5456 |
Chemical Identifiers
| CAS Number | 860611-01-4 |
|---|---|
| SMILES | C1CN(CCC1CO)C2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-] |
Product Overview
4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile (CAS 860611-01-4), with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol. IUPAC: 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzonitrile.
Chemical Property Profile of 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile
Property Insights of 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile
The XLogP value of 3.28728 indicates that 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile. Following Lipinski's Rule of Five, 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile has 2 hydrogen bond donor(s) and 6 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 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile?
The CAS number of 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile is 860611-01-4.
What is the molecular formula of 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile?
The molecular formula of 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile is C20H22N4O3.
What is the molecular weight of 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile?
The molecular weight of 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile is 366.17 g/mol.
Where can I buy 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile?
You can request a quote for 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-({2-[4-(Hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.