2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol

C12H15F3N2O — CID 20785395

IUPAC2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol
SMILESOC(c1ccc(N2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11(18)9-1-3-10(4-2-9)17-7-5-16-6-8-17/h1-4,11,16,18H,5-8H2
InChIKeyRVLBWAWAKOOZIG-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.69
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol

2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol (PubChem CID 20785395) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol
PubChem CID20785395
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol
SMILESOC(c1ccc(N2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11(18)9-1-3-10(4-2-9)17-7-5-16-6-8-17/h1-4,11,16,18H,5-8H2
InChIKeyRVLBWAWAKOOZIG-UHFFFAOYSA-N
XLogP1.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol (CID 20785395) is 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol is OC(c1ccc(N2CCNCC2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol?
The InChIKey is RVLBWAWAKOOZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)11(18)9-1-3-10(4-2-9)17-7-5-16-6-8-17/h1-4,11,16,18H,5-8H2.
What are the key properties of 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol?
2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol has a molecular weight of 260.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-piperazin-1-ylphenyl)ethanol is sourced from PubChem (CID 20785395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).