2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid

C10H19FN2O2 — CID 121201939

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-9(10(14)15)13-7-5-12(4-3-11)6-8-13/h9H,2-8H2,1H3,(H,14,15)
InChIKeyDOBOFBBWUBPREX-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.44
Rot. Bonds5

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

2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid (PubChem CID 121201939) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid
PubChem CID121201939
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-9(10(14)15)13-7-5-12(4-3-11)6-8-13/h9H,2-8H2,1H3,(H,14,15)
InChIKeyDOBOFBBWUBPREX-UHFFFAOYSA-N
XLogP0.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.44
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]butanoic acid?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid (CID 121201939) is 2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid is CCC(C(=O)O)N1CCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid?
The InChIKey is DOBOFBBWUBPREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-2-9(10(14)15)13-7-5-12(4-3-11)6-8-13/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid?
2-[4-(2-fluoroethyl)piperazin-1-yl]butanoic acid has a molecular weight of 218.27 g/mol, XLogP of 0.44, 5 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]butanoic acid is sourced from PubChem (CID 121201939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).