2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine

C15H14F4N4 — CID 118013195

IUPAC2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESFc1ccc(C2CN(c3cnc(C(F)(F)F)cn3)CCN2)cc1
InChIInChI=1S/C15H14F4N4/c16-11-3-1-10(2-4-11)12-9-23(6-5-20-12)14-8-21-13(7-22-14)15(17,18)19/h1-4,7-8,12,20H,5-6,9H2
InChIKeyBQCFWGVGDTYUOJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.79
Rot. Bonds2

About 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine

2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 118013195) has the molecular formula C15H14F4N4 and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine
PubChem CID118013195
Molecular FormulaC15H14F4N4
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESFc1ccc(C2CN(c3cnc(C(F)(F)F)cn3)CCN2)cc1
InChIInChI=1S/C15H14F4N4/c16-11-3-1-10(2-4-11)12-9-23(6-5-20-12)14-8-21-13(7-22-14)15(17,18)19/h1-4,7-8,12,20H,5-6,9H2
InChIKeyBQCFWGVGDTYUOJ-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

VK-19911
CID 9797240
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
2-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
2-Amino-5-phenylpyrazine
CID 598734
1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 11218492
6-(3-piperazin-4-ium-1-ylphenyl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 72200762
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 145960008
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515
N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 4963438
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 44590980
2-{4-[4-(2-Fluorophenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11567620
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 11655403

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine (CID 118013195) is 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine is Fc1ccc(C2CN(c3cnc(C(F)(F)F)cn3)CCN2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is BQCFWGVGDTYUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4/c16-11-3-1-10(2-4-11)12-9-23(6-5-20-12)14-8-21-13(7-22-14)15(17,18)19/h1-4,7-8,12,20H,5-6,9H2.
What are the key properties of 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine?
2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 326.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 118013195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).