1-间甲苯基哌嗪
TL;DR: 1-间甲苯基哌嗪 (CAS 41186-03-2) 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-间甲苯基哌嗪
1-(3-methylphenyl)piperazine
Also Known As: 1-(3-Methylphenyl)piperazine, 1-(m-Tolyl)piperazine, 1-m-tolylpiperazine, 1- piperazine, 1-m-Tolyl-piperazine
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 1.8 |
| 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 | 152.0 |
Chemical Identifiers
| CAS Number | 41186-03-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCNCC2 |
| InChIKey | JIWHIRLNKIUYSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-间甲苯基哌嗪 (CAS 41186-03-2), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 1-(3-methylphenyl)piperazine.
Chemical Property Profile of 1-间甲苯基哌嗪
Property Insights of 1-间甲苯基哌嗪
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-间甲苯基哌嗪. With a topological polar surface area (TPSA) of 15.3 Ų, 1-间甲苯基哌嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-间甲苯基哌嗪 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-间甲苯基哌嗪?
The CAS number of 1-间甲苯基哌嗪 is 41186-03-2.
What is the molecular formula of 1-间甲苯基哌嗪?
The molecular formula of 1-间甲苯基哌嗪 is C11H16N2.
What is the molecular weight of 1-间甲苯基哌嗪?
The molecular weight of 1-间甲苯基哌嗪 is 176.13 g/mol.
Where can I buy 1-间甲苯基哌嗪?
You can request a quote for 1-间甲苯基哌嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-间甲苯基哌嗪?
Yes, KEHONG BIO provides custom synthesis services for 1-间甲苯基哌嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.