![4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde structure](/static/products/864/864423-01-8.png)
4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde
TL;DR: 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde (CAS 864423-01-8) is a chemical compound with molecular formula C13H15F3N2O and molecular weight 272.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
Also Known As: 4-[4-(trifluoromethyl)benzyl]-1-piperazinecarbaldehyde, 4-(4-(Trifluoromethyl)benzyl)piperazine-1-carbaldehyde, 4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
| Molecular Formula | C13H15F3N2O |
|---|---|
| Molecular Weight | 272.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.11365 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 864423-01-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)C(F)(F)F)C=O |
| InChIKey | MZBCQDVFPZTSRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde (CAS 864423-01-8), with molecular formula C13H15F3N2O and molecular weight 272.11 g/mol. IUPAC: 4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde.
Chemical Property Profile of 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde
Property Insights of 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde. With a topological polar surface area (TPSA) of 23.6 Ų, 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde has 0 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 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde?
The CAS number of 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde is 864423-01-8.
What is the molecular formula of 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde?
The molecular formula of 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde is C13H15F3N2O.
What is the molecular weight of 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde?
The molecular weight of 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde is 272.11 g/mol.
Where can I buy 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde?
You can request a quote for 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.