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

C13H17F3N2O — CID 23458476

IUPAC1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H17F3N2O/c1-12(19,18-7-5-17-6-8-18)10-3-2-4-11(9-10)13(14,15)16/h2-4,9,17,19H,5-8H2,1H3
InChIKeyGQTXGYOQCPMYGO-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.78
Rot. Bonds2

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

1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23458476) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23458476
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C13H17F3N2O/c1-12(19,18-7-5-17-6-8-18)10-3-2-4-11(9-10)13(14,15)16/h2-4,9,17,19H,5-8H2,1H3
InChIKeyGQTXGYOQCPMYGO-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23458476) is 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol is CC(O)(c1cccc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GQTXGYOQCPMYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(19,18-7-5-17-6-8-18)10-3-2-4-11(9-10)13(14,15)16/h2-4,9,17,19H,5-8H2,1H3.
What are the key properties of 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol?
1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 274.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23458476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).