2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile
TL;DR: 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile (CAS 195141-29-8) is a chemical compound with molecular formula C18H20N4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile
Also Known As: 2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile, 2-(4-benzylpiperazin-1-yl)-2-pyridin-3-yl-acetonitrile, 2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile, 4-BENZYL-ALPHA-(3-PYRIDYL)-1-PIPERAZINEACETONITRILE
| Molecular Formula | C18H20N4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 2.46408 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.1688 |
| Heavy Atoms | 22 |
| Complexity | 612.54034 |
Chemical Identifiers
| CAS Number | 195141-29-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(C#N)C3=CN=CC=C3 |
Product Overview
2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile (CAS 195141-29-8), with molecular formula C18H20N4 and molecular weight 292.17 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile.
Chemical Property Profile of 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile
Property Insights of 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile
The XLogP value of 2.46408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 43.16 Ų, 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile 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)-2-(pyridin-3-yl)acetonitrile?
The CAS number of 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile is 195141-29-8.
What is the molecular formula of 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile?
The molecular formula of 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile is C18H20N4.
What is the molecular weight of 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile?
The molecular weight of 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile is 292.17 g/mol.
Where can I buy 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile?
You can request a quote for 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile 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)-2-(pyridin-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzylpiperazin-1-yl)-2-(pyridin-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.