3-(4-Methylpiperazin-1-yl)propanenitrile
TL;DR: 3-(4-Methylpiperazin-1-yl)propanenitrile (CAS 4491-92-3) is a chemical compound with molecular formula C8H15N3 and molecular weight 153.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)propanenitrile
Also Known As: 3-(4-methylpiperazin-1-yl)propanenitrile, 1-(2-CYANOETHYL)-4-METHYLPIPERAZINE, 1- -4-methylpiperazine, 4-Methyl-1-piperazinepropionitrile, 4-Methyl-1-piperazinepropanenitrile
| Molecular Formula | C8H15N3 |
|---|---|
| Molecular Weight | 153.13 g/mol |
| LogP | 0.14748 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.1266 |
| Heavy Atoms | 11 |
| Complexity | 141.90639 |
Chemical Identifiers
| CAS Number | 4491-92-3 |
|---|---|
| SMILES | CN1CCN(CC1)CCC#N |
Product Overview
3-(4-Methylpiperazin-1-yl)propanenitrile (CAS 4491-92-3), with molecular formula C8H15N3 and molecular weight 153.13 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)propanenitrile.
Chemical Property Profile of 3-(4-Methylpiperazin-1-yl)propanenitrile
Property Insights of 3-(4-Methylpiperazin-1-yl)propanenitrile
The XLogP value of 0.14748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylpiperazin-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 30.27 Ų, 3-(4-Methylpiperazin-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylpiperazin-1-yl)propanenitrile 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 3-(4-Methylpiperazin-1-yl)propanenitrile?
The CAS number of 3-(4-Methylpiperazin-1-yl)propanenitrile is 4491-92-3.
What is the molecular formula of 3-(4-Methylpiperazin-1-yl)propanenitrile?
The molecular formula of 3-(4-Methylpiperazin-1-yl)propanenitrile is C8H15N3.
What is the molecular weight of 3-(4-Methylpiperazin-1-yl)propanenitrile?
The molecular weight of 3-(4-Methylpiperazin-1-yl)propanenitrile is 153.13 g/mol.
Where can I buy 3-(4-Methylpiperazin-1-yl)propanenitrile?
You can request a quote for 3-(4-Methylpiperazin-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylpiperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylpiperazin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.