1-(2,3-Xylyl)piperazine
TL;DR: 1-(2,3-Xylyl)piperazine (CAS 1013-22-5) is a chemical compound with molecular formula C12H18N2 and molecular weight 190.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylphenyl)piperazine
Also Known As: 1-(2,3-Dimethylphenyl)piperazine, 1-(2,3-Xylyl)piperazine, Piperazine, 1-(2,3-dimethylphenyl)-, 1-(2,3-Dimethylphenyl)-piperazine, o,m-dimethylphenylpiperazine
| Molecular Formula | C12H18N2 |
|---|---|
| Molecular Weight | 190.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.147 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 1013-22-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCNCC2)C |
| InChIKey | LIKXJDINUMWKQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,3-Xylyl)piperazine (CAS 1013-22-5), with molecular formula C12H18N2 and molecular weight 190.15 g/mol. IUPAC: 1-(2,3-dimethylphenyl)piperazine.
Chemical Property Profile of 1-(2,3-Xylyl)piperazine
Property Insights of 1-(2,3-Xylyl)piperazine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Xylyl)piperazine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-(2,3-Xylyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Xylyl)piperazine has 1 hydrogen bond donor(s) and 2 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-(2,3-Xylyl)piperazine?
The CAS number of 1-(2,3-Xylyl)piperazine is 1013-22-5.
What is the molecular formula of 1-(2,3-Xylyl)piperazine?
The molecular formula of 1-(2,3-Xylyl)piperazine is C12H18N2.
What is the molecular weight of 1-(2,3-Xylyl)piperazine?
The molecular weight of 1-(2,3-Xylyl)piperazine is 190.15 g/mol.
Where can I buy 1-(2,3-Xylyl)piperazine?
You can request a quote for 1-(2,3-Xylyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Xylyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Xylyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.