1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride
TL;DR: 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride (CAS 65876-27-9) is a chemical compound with molecular formula C8H17Cl2N3 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride
Also Known As: 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride, 4-Methyl-1-piperazinepropanenitrile dihydrochloride, 3-(4-methylpiperazin-1-yl)propanenitrile dihydrochloride, 3-(4-methylpiperazin-1-yl)propanenitrile,dihydrochloride, 1-Piperazinepropanenitrile,4-methyl-,dihydrochloride
| Molecular Formula | C8H17Cl2N3 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 0.99108 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.07996 |
| Heavy Atoms | 13 |
| Complexity | 149.95836 |
Chemical Identifiers
| CAS Number | 65876-27-9 |
|---|---|
| SMILES | CN1CCN(CC1)CCC#N.Cl.Cl |
Product Overview
1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride (CAS 65876-27-9), with molecular formula C8H17Cl2N3 and molecular weight 225.08 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride.
Chemical Property Profile of 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride
Property Insights of 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride
The XLogP value of 0.99108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride. With a topological polar surface area (TPSA) of 30.27 Ų, 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride 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 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride?
The CAS number of 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride is 65876-27-9.
What is the molecular formula of 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride?
The molecular formula of 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride is C8H17Cl2N3.
What is the molecular weight of 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride?
The molecular weight of 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride is 225.08 g/mol.
Where can I buy 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride?
You can request a quote for 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanenitrile, 4-methyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.