1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride

C12H13ClF6N2 — CID 130454922

IUPAC1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C(F)(F)F)c(N2CCNCC2)c1
InChIInChI=1S/C12H12F6N2.ClH/c13-11(14,15)8-1-2-9(12(16,17)18)10(7-8)20-5-3-19-4-6-20;/h1-2,7,19H,3-6H2;1H
InChIKeyUAPOLRGVBQSXDU-UHFFFAOYSA-N
MW334.69 g/mol
LogP3.56
Rot. Bonds1

About 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride

1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 130454922) has the molecular formula C12H13ClF6N2 and a molecular weight of 334.69 g/mol. Its IUPAC name is 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID130454922
Molecular FormulaC12H13ClF6N2
Molecular Weight334.69 g/mol
Exact Mass334.07
IUPAC Name1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C(F)(F)F)c(N2CCNCC2)c1
InChIInChI=1S/C12H12F6N2.ClH/c13-11(14,15)8-1-2-9(12(16,17)18)10(7-8)20-5-3-19-4-6-20;/h1-2,7,19H,3-6H2;1H
InChIKeyUAPOLRGVBQSXDU-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,4-bis(trifluoromethyl)phenyl]piperazine
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1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
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1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
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1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
CID 86593827
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
(2S)-2-[2,5-bis(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173861
1-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
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CID 171166814

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 130454922) is 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1ccc(C(F)(F)F)c(N2CCNCC2)c1.
What is the InChIKey of 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is UAPOLRGVBQSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2.ClH/c13-11(14,15)8-1-2-9(12(16,17)18)10(7-8)20-5-3-19-4-6-20;/h1-2,7,19H,3-6H2;1H.
What are the key properties of 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride?
1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 334.69 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 130454922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).