1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride

C11H14Cl3F3N2O — CID 86618922

IUPAC1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)Oc1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O.2ClH/c12-9-2-1-8(17-5-3-16-4-6-17)7-10(9)18-11(13,14)15;;/h1-2,7,16H,3-6H2;2*1H
InChIKeyBAJRAQVMXHDHIQ-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.49
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride

1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride (PubChem CID 86618922) has the molecular formula C11H14Cl3F3N2O and a molecular weight of 353.60 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
PubChem CID86618922
Molecular FormulaC11H14Cl3F3N2O
Molecular Weight353.60 g/mol
Exact Mass352.01
IUPAC Name1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)Oc1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O.2ClH/c12-9-2-1-8(17-5-3-16-4-6-17)7-10(9)18-11(13,14)15;;/h1-2,7,16H,3-6H2;2*1H
InChIKeyBAJRAQVMXHDHIQ-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane
CID 143061676
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-[3-nitro-4-(trifluoromethoxy)phenyl]piperazine
CID 173469686
1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
[4-chloro-3-(trifluoromethoxy)phenyl]methyl piperazine-1-carboxylate
CID 66720697
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171279473
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181992
2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine
CID 141414233

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride?
The IUPAC name of 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride (CID 86618922) is 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)Oc1cc(N2CCNCC2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride?
The InChIKey is BAJRAQVMXHDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O.2ClH/c12-9-2-1-8(17-5-3-16-4-6-17)7-10(9)18-11(13,14)15;;/h1-2,7,16H,3-6H2;2*1H.
What are the key properties of 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride?
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride has a molecular weight of 353.60 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride is sourced from PubChem (CID 86618922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).