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

C8H17FN2O — CID 45099649

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCF)CC1
InChIInChI=1S/C8H17FN2O/c9-1-2-10-3-5-11(6-4-10)7-8-12/h12H,1-8H2
InChIKeyGQNKSQDCCYGVLW-UHFFFAOYSA-N
MW176.23 g/mol
LogP-0.43
Rot. Bonds4

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

2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol (PubChem CID 45099649) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol
PubChem CID45099649
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCF)CC1
InChIInChI=1S/C8H17FN2O/c9-1-2-10-3-5-11(6-4-10)7-8-12/h12H,1-8H2
InChIKeyGQNKSQDCCYGVLW-UHFFFAOYSA-N
XLogP-0.43
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol (CID 45099649) is 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol is OCCN1CCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is GQNKSQDCCYGVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c9-1-2-10-3-5-11(6-4-10)7-8-12/h12H,1-8H2.
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol?
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 176.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 45099649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).