1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride
TL;DR: 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride (CAS 65876-29-1) is a chemical compound with molecular formula C13H19Cl2N3 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylpiperazin-1-yl)propanenitrile;dihydrochloride
Also Known As: 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride, 4-Phenyl-1-piperazinepropanenitrile dihydrochloride, 3-(4-phenylpiperazin-1-yl)propanenitrile dihydrochloride, 3-(4-Phenylpiperazin-1-yl)propanenitrile--hydrogen chloride (1/2), RefChem:234043
| Molecular Formula | C13H19Cl2N3 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 2.56588 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0956 |
| Heavy Atoms | 18 |
| Complexity | 356.24915 |
Chemical Identifiers
| CAS Number | 65876-29-1 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C2=CC=CC=C2.Cl.Cl |
Product Overview
1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride (CAS 65876-29-1), with molecular formula C13H19Cl2N3 and molecular weight 287.10 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)propanenitrile;dihydrochloride.
Chemical Property Profile of 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride
Property Insights of 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride
The XLogP value of 2.56588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride. With a topological polar surface area (TPSA) of 30.27 Ų, 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanenitrile, 4-phenyl-, 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-phenyl-, dihydrochloride?
The CAS number of 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride is 65876-29-1.
What is the molecular formula of 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride?
The molecular formula of 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride is C13H19Cl2N3.
What is the molecular weight of 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride?
The molecular weight of 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride is 287.10 g/mol.
Where can I buy 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride?
You can request a quote for 1-Piperazinepropanenitrile, 4-phenyl-, 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-phenyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanenitrile, 4-phenyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.