2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol

C11H13F3N2O2 — CID 171259694

IUPAC2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol
SMILESOc1c(OC(F)(F)F)cccc1[C@@H]1CNCCN1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)18-9-3-1-2-7(10(9)17)8-6-15-4-5-16-8/h1-3,8,15-17H,4-6H2/t8-/m0/s1
InChIKeyVAGBWMYVWXHZBT-QMMMGPOBSA-N
MW262.23 g/mol
LogP1.52
Rot. Bonds2

About 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol

2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol (PubChem CID 171259694) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol
PubChem CID171259694
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol
SMILESOc1c(OC(F)(F)F)cccc1[C@@H]1CNCCN1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)18-9-3-1-2-7(10(9)17)8-6-15-4-5-16-8/h1-3,8,15-17H,4-6H2/t8-/m0/s1
InChIKeyVAGBWMYVWXHZBT-QMMMGPOBSA-N
XLogP1.52
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259764
2-ethoxy-6-[(2S)-piperazin-2-yl]phenol
CID 171194105
2-iodo-6-[(2S)-piperazin-2-yl]phenol
CID 130640964
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
CID 171259662
(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
CID 171193298
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
CID 171259704
(2R)-2-(3-fluoro-2-methylphenyl)piperazine
CID 131101116
(2S)-2-(3-fluoro-2-methylphenyl)piperazine
CID 55264820
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194540
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol?
The IUPAC name of 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol (CID 171259694) is 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol is Oc1c(OC(F)(F)F)cccc1[C@@H]1CNCCN1.
What is the InChIKey of 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol?
The InChIKey is VAGBWMYVWXHZBT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)18-9-3-1-2-7(10(9)17)8-6-15-4-5-16-8/h1-3,8,15-17H,4-6H2/t8-/m0/s1.
What are the key properties of 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol?
2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol has a molecular weight of 262.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol is sourced from PubChem (CID 171259694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).