2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol

C12H17FN2O — CID 13458843

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2
InChIKeyONKAXBAMDYNOFH-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.94
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol

2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 13458843) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID13458843
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2
InChIKeyONKAXBAMDYNOFH-UHFFFAOYSA-N
XLogP0.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (CID 13458843) is 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is ONKAXBAMDYNOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 224.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 13458843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).