1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride
TL;DR: 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride (CAS 65876-31-5) is a chemical compound with molecular formula C14H20ClN3 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-methylphenyl)piperazin-1-yl]propanenitrile;hydrochloride
Also Known As: 1-(2-Cyanoethyl)-4-(2-tolyl)piperazine hydrochloride, 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride, 4-(2-Methylphenyl)-1-piperazinepropanenitrile hydrochloride, 3-[4-(2-methylphenyl)piperazin-1-yl]propanenitrile hydrochloride, 3-[4-(2-Methylphenyl)piperazin-1-yl]propanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClN3 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 2.4525 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.13458 |
| Heavy Atoms | 18 |
| Complexity | 405.7453 |
Chemical Identifiers
| CAS Number | 65876-31-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCC#N.Cl |
Product Overview
1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride (CAS 65876-31-5), with molecular formula C14H20ClN3 and molecular weight 265.13 g/mol. IUPAC: 3-[4-(2-methylphenyl)piperazin-1-yl]propanenitrile;hydrochloride.
Chemical Property Profile of 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride
Property Insights of 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride
The XLogP value of 2.4525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 30.27 Ų, 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride 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-(2-methylphenyl)-, monohydrochloride?
The CAS number of 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride is 65876-31-5.
What is the molecular formula of 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride?
The molecular formula of 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride is C14H20ClN3.
What is the molecular weight of 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride?
The molecular weight of 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride is 265.13 g/mol.
Where can I buy 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride?
You can request a quote for 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride 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-(2-methylphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanenitrile, 4-(2-methylphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.