1-(p-Tolyl)piperazine
TL;DR: 1-(p-Tolyl)piperazine (CAS 39593-08-3) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)piperazine
Also Known As: 1-(4-Methylphenyl)piperazine, 1-(p-Tolyl)piperazine, 1-p-tolylpiperazine, 1-p-Tolyl-piperazine, 1- piperazine
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 39593-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCNCC2 |
| InChIKey | ONEYFZXGNFNRJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(p-Tolyl)piperazine (CAS 39593-08-3), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 1-(4-methylphenyl)piperazine.
Chemical Property Profile of 1-(p-Tolyl)piperazine
Property Insights of 1-(p-Tolyl)piperazine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Tolyl)piperazine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-(p-Tolyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Tolyl)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-(p-Tolyl)piperazine?
The CAS number of 1-(p-Tolyl)piperazine is 39593-08-3.
What is the molecular formula of 1-(p-Tolyl)piperazine?
The molecular formula of 1-(p-Tolyl)piperazine is C11H16N2.
What is the molecular weight of 1-(p-Tolyl)piperazine?
The molecular weight of 1-(p-Tolyl)piperazine is 176.13 g/mol.
Where can I buy 1-(p-Tolyl)piperazine?
You can request a quote for 1-(p-Tolyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Tolyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Tolyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.