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

C13H17F3N2O — CID 23331704

IUPAC1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O/c1-10(19)17-5-7-18(8-6-17)12-4-2-3-11(9-12)13(14,15)16/h2-4,9-10,19H,5-8H2,1H3
InChIKeyKNQNDRIJHNYXGG-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.17
Rot. Bonds2

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

1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 23331704) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
PubChem CID23331704
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H17F3N2O/c1-10(19)17-5-7-18(8-6-17)12-4-2-3-11(9-12)13(14,15)16/h2-4,9-10,19H,5-8H2,1H3
InChIKeyKNQNDRIJHNYXGG-UHFFFAOYSA-N
XLogP2.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (CID 23331704) is 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is CC(O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is KNQNDRIJHNYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-10(19)17-5-7-18(8-6-17)12-4-2-3-11(9-12)13(14,15)16/h2-4,9-10,19H,5-8H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 274.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 23331704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).