1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride

C11H14ClF3N2O — CID 121226455

IUPAC1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)17-10-3-1-2-9(8-10)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H
InChIKeyRIKHPCFHBSVQSB-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.42
Rot. Bonds2

About 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride

1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride (PubChem CID 121226455) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
PubChem CID121226455
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)17-10-3-1-2-9(8-10)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H
InChIKeyRIKHPCFHBSVQSB-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922
2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine
CID 175262358
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
CID 11972047
1-(3-ethoxyphenyl)piperazine
CID 14519634
1-[3-(trifluoromethylsulfanyl)phenyl]piperazine
CID 3016557
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-[(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171293140
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]-1,4-diazepane
CID 106705834

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride (CID 121226455) is 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
The InChIKey is RIKHPCFHBSVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c12-11(13,14)17-10-3-1-2-9(8-10)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 121226455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).