N-(4-三氟甲基苯基)哌嗪
TL;DR: N-(4-三氟甲基苯基)哌嗪 (CAS 30459-17-7) is a chemical compound with molecular formula C11H13F3N2 and molecular weight 230.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-三氟甲基苯基)哌嗪
1-[4-(trifluoromethyl)phenyl]piperazine
Also Known As: 1-(4-Trifluoromethylphenyl)piperazine, 1-[4-(trifluoromethyl)phenyl]piperazine, pmoxiflo, Piperazine, 1-[4-(trifluoromethyl)phenyl]-, zlchem 639
| Molecular Formula | C11H13F3N2 |
|---|---|
| Molecular Weight | 230.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.10309 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 30459-17-7 |
|---|---|
| SMILES | C1CN(CCN1)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | IBQMAPSJLHRQPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-三氟甲基苯基)哌嗪 (CAS 30459-17-7), with molecular formula C11H13F3N2 and molecular weight 230.10 g/mol. IUPAC: 1-[4-(trifluoromethyl)phenyl]piperazine.
Chemical Property Profile of N-(4-三氟甲基苯基)哌嗪
Property Insights of N-(4-三氟甲基苯基)哌嗪
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-三氟甲基苯基)哌嗪. With a topological polar surface area (TPSA) of 15.3 Ų, N-(4-三氟甲基苯基)哌嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-三氟甲基苯基)哌嗪 has 1 hydrogen bond donor(s) and 5 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 N-(4-三氟甲基苯基)哌嗪?
The CAS number of N-(4-三氟甲基苯基)哌嗪 is 30459-17-7.
What is the molecular formula of N-(4-三氟甲基苯基)哌嗪?
The molecular formula of N-(4-三氟甲基苯基)哌嗪 is C11H13F3N2.
What is the molecular weight of N-(4-三氟甲基苯基)哌嗪?
The molecular weight of N-(4-三氟甲基苯基)哌嗪 is 230.10 g/mol.
Where can I buy N-(4-三氟甲基苯基)哌嗪?
You can request a quote for N-(4-三氟甲基苯基)哌嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-三氟甲基苯基)哌嗪?
Yes, KEHONG BIO provides custom synthesis services for N-(4-三氟甲基苯基)哌嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.