2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol

C13H17F3N2O2 — CID 11972047

IUPAC2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)20-12-3-1-2-11(10-12)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2
InChIKeyKIEATVHYJNMTNK-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.70
Rot. Bonds4

About 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol

2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol (PubChem CID 11972047) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
PubChem CID11972047
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)20-12-3-1-2-11(10-12)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2
InChIKeyKIEATVHYJNMTNK-UHFFFAOYSA-N
XLogP1.70
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol (CID 11972047) is 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol is OCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol?
The InChIKey is KIEATVHYJNMTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)20-12-3-1-2-11(10-12)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2.
What are the key properties of 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol?
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol has a molecular weight of 290.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 11972047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).