![2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine structure](/static/products/4148/414873-98-6.webp)
2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
TL;DR: 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine (CAS 414873-98-6) is a chemical compound with molecular formula C16H17F3N4 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
Also Known As: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine, AB00077079-01, 2-{4-[3-(trifluoromethyl)benzyl]-1-piperazinyl}pyrimidine, 2-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}pyrimidine, 2-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)pyrimidine
| Molecular Formula | C16H17F3N4 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.14053 |
| Heavy Atoms | 23 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 414873-98-6 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C3=NC=CC=N3 |
| InChIKey | RBCPRQOAWQLMTN-UHFFFAOYSA-N |
Product Overview
2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine (CAS 414873-98-6), with molecular formula C16H17F3N4 and molecular weight 322.14 g/mol. IUPAC: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine.
Chemical Property Profile of 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
Property Insights of 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine. With a topological polar surface area (TPSA) of 32.3 Ų, 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine has 0 hydrogen bond donor(s) and 7 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 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The CAS number of 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine is 414873-98-6.
What is the molecular formula of 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The molecular formula of 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine is C16H17F3N4.
What is the molecular weight of 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
The molecular weight of 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine is 322.14 g/mol.
Where can I buy 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
You can request a quote for 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.