1-(3-Fluorophenyl)piperazine
TL;DR: 1-(3-Fluorophenyl)piperazine (CAS 3801-89-6) is a chemical compound with molecular formula C10H13FN2 and molecular weight 180.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)piperazine
Also Known As: 1-(3-Fluorophenyl)piperazine, Piperazine,1-(3-fluorophenyl)-, Piperazine, 1-(3-fluorophenyl)-, 1-(3-fluorophenyl)-piperazine, N-(3-Fluorophenyl)piperazine
| Molecular Formula | C10H13FN2 |
|---|---|
| Molecular Weight | 180.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.10628 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 3801-89-6 |
|---|---|
| SMILES | C1CN(CCN1)C2=CC(=CC=C2)F |
| InChIKey | KIFCSMQTGWVMOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Fluorophenyl)piperazine (CAS 3801-89-6), with molecular formula C10H13FN2 and molecular weight 180.11 g/mol. IUPAC: 1-(3-fluorophenyl)piperazine.
Chemical Property Profile of 1-(3-Fluorophenyl)piperazine
Property Insights of 1-(3-Fluorophenyl)piperazine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorophenyl)piperazine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-(3-Fluorophenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)piperazine has 1 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-(3-Fluorophenyl)piperazine?
The CAS number of 1-(3-Fluorophenyl)piperazine is 3801-89-6.
What is the molecular formula of 1-(3-Fluorophenyl)piperazine?
The molecular formula of 1-(3-Fluorophenyl)piperazine is C10H13FN2.
What is the molecular weight of 1-(3-Fluorophenyl)piperazine?
The molecular weight of 1-(3-Fluorophenyl)piperazine is 180.11 g/mol.
Where can I buy 1-(3-Fluorophenyl)piperazine?
You can request a quote for 1-(3-Fluorophenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.