2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol

C12H17FN2O2 — CID 20785411

IUPAC2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol
SMILESOCCOc1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C12H17FN2O2/c13-11-2-1-10(17-8-7-16)9-12(11)15-5-3-14-4-6-15/h1-2,9,14,16H,3-8H2
InChIKeyQUSLCNNBQBMZIC-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.61
Rot. Bonds4

About 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol

2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol (PubChem CID 20785411) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol
PubChem CID20785411
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol
SMILESOCCOc1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C12H17FN2O2/c13-11-2-1-10(17-8-7-16)9-12(11)15-5-3-14-4-6-15/h1-2,9,14,16H,3-8H2
InChIKeyQUSLCNNBQBMZIC-UHFFFAOYSA-N
XLogP0.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol?
The IUPAC name of 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol (CID 20785411) is 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol.
What is the SMILES notation for 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol?
The canonical SMILES for 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol is OCCOc1ccc(F)c(N2CCNCC2)c1.
What is the InChIKey of 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol?
The InChIKey is QUSLCNNBQBMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-11-2-1-10(17-8-7-16)9-12(11)15-5-3-14-4-6-15/h1-2,9,14,16H,3-8H2.
What are the key properties of 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol?
2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol has a molecular weight of 240.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-piperazin-1-ylphenoxy)ethanol is sourced from PubChem (CID 20785411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).