2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol

C14H21FN2O — CID 51075547

IUPAC2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol
SMILESCCN1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O/c1-2-16-7-9-17(10-8-16)11-14(18)12-3-5-13(15)6-4-12/h3-6,14,18H,2,7-11H2,1H3
InChIKeyJXQBXLKNMVKNJK-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol

2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 51075547) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol
PubChem CID51075547
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol
SMILESCCN1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O/c1-2-16-7-9-17(10-8-16)11-14(18)12-3-5-13(15)6-4-12/h3-6,14,18H,2,7-11H2,1H3
InChIKeyJXQBXLKNMVKNJK-UHFFFAOYSA-N
XLogP1.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol (CID 51075547) is 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol is CCN1CCN(CC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is JXQBXLKNMVKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-16-7-9-17(10-8-16)11-14(18)12-3-5-13(15)6-4-12/h3-6,14,18H,2,7-11H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol?
2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 252.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 51075547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).