2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride

C15H17Cl2F3N4 — CID 68595238

IUPAC2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cccc(-c2nccnc2N2CCNCC2)c1
InChIInChI=1S/C15H15F3N4.2ClH/c16-15(17,18)12-3-1-2-11(10-12)13-14(21-5-4-20-13)22-8-6-19-7-9-22;;/h1-5,10,19H,6-9H2;2*1H
InChIKeyQICDBFVUNNXUAQ-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.42
Rot. Bonds2

About 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride

2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride (PubChem CID 68595238) has the molecular formula C15H17Cl2F3N4 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride
PubChem CID68595238
Molecular FormulaC15H17Cl2F3N4
Molecular Weight381.23 g/mol
Exact Mass380.08
IUPAC Name2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cccc(-c2nccnc2N2CCNCC2)c1
InChIInChI=1S/C15H15F3N4.2ClH/c16-15(17,18)12-3-1-2-11(10-12)13-14(21-5-4-20-13)22-8-6-19-7-9-22;;/h1-5,10,19H,6-9H2;2*1H
InChIKeyQICDBFVUNNXUAQ-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 68594464
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854
5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
CID 143957400
4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
CID 67157565
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
CID 166485525
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
CID 83778730
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
CID 69163017
1-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-4-[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 68595083

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride?
The IUPAC name of 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride (CID 68595238) is 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride?
The canonical SMILES for 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride is Cl.Cl.FC(F)(F)c1cccc(-c2nccnc2N2CCNCC2)c1.
What is the InChIKey of 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride?
The InChIKey is QICDBFVUNNXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4.2ClH/c16-15(17,18)12-3-1-2-11(10-12)13-14(21-5-4-20-13)22-8-6-19-7-9-22;;/h1-5,10,19H,6-9H2;2*1H.
What are the key properties of 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride?
2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride has a molecular weight of 381.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride is sourced from PubChem (CID 68595238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).