1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol

C12H17FN2O — CID 20785288

IUPAC1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol
SMILESCC(O)c1cc(N2CCNCC2)ccc1F
InChIInChI=1S/C12H17FN2O/c1-9(16)11-8-10(2-3-12(11)13)15-6-4-14-5-7-15/h2-3,8-9,14,16H,4-7H2,1H3
InChIKeyTWOKQLVBAYZEIY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.29
Rot. Bonds2

About 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol

1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol (PubChem CID 20785288) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol
PubChem CID20785288
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol
SMILESCC(O)c1cc(N2CCNCC2)ccc1F
InChIInChI=1S/C12H17FN2O/c1-9(16)11-8-10(2-3-12(11)13)15-6-4-14-5-7-15/h2-3,8-9,14,16H,4-7H2,1H3
InChIKeyTWOKQLVBAYZEIY-UHFFFAOYSA-N
XLogP1.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol?
The IUPAC name of 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol (CID 20785288) is 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol.
What is the SMILES notation for 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol?
The canonical SMILES for 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol is CC(O)c1cc(N2CCNCC2)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol?
The InChIKey is TWOKQLVBAYZEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(16)11-8-10(2-3-12(11)13)15-6-4-14-5-7-15/h2-3,8-9,14,16H,4-7H2,1H3.
What are the key properties of 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol?
1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol has a molecular weight of 224.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-piperazin-1-ylphenyl)ethanol is sourced from PubChem (CID 20785288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).