2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
TL;DR: 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CAS 831177-02-7) is a chemical compound with molecular formula C19H22N4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: UPCMLD0ENAT5752229:001, 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile, 2-(4-benzyl-1-piperazinyl)-4,6-dimethylnicotinonitrile, 2-(4-benzylpiperazin-1-yl)-4,6-dimethylnicotinonitrile, 2-(4-benzylpiperazino)-4,6-dimethyl-nicotinonitrile
| Molecular Formula | C19H22N4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 2.89232 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.18445 |
| Heavy Atoms | 23 |
| Complexity | 710.1397 |
Chemical Identifiers
| CAS Number | 831177-02-7 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)N2CCN(CC2)CC3=CC=CC=C3)C |
Product Overview
2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CAS 831177-02-7), with molecular formula C19H22N4 and molecular weight 306.18 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
Property Insights of 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
The XLogP value of 2.89232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 43.16 Ų, 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile 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-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The CAS number of 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is 831177-02-7.
What is the molecular formula of 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The molecular formula of 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is C19H22N4.
What is the molecular weight of 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The molecular weight of 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is 306.18 g/mol.
Where can I buy 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
You can request a quote for 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.