1-(6-fluoro-1-benzofuran-3-yl)piperazine

C12H13FN2O — CID 21471813

IUPAC1-(6-fluoro-1-benzofuran-3-yl)piperazine
SMILESFc1ccc2c(N3CCNCC3)coc2c1
InChIInChI=1S/C12H13FN2O/c13-9-1-2-10-11(8-16-12(10)7-9)15-5-3-14-4-6-15/h1-2,7-8,14H,3-6H2
InChIKeyLKWKCHLAFBZMEC-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.98
Rot. Bonds1

About 1-(6-fluoro-1-benzofuran-3-yl)piperazine

1-(6-fluoro-1-benzofuran-3-yl)piperazine (PubChem CID 21471813) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzofuran-3-yl)piperazine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzofuran-3-yl)piperazine
PubChem CID21471813
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(6-fluoro-1-benzofuran-3-yl)piperazine
SMILESFc1ccc2c(N3CCNCC3)coc2c1
InChIInChI=1S/C12H13FN2O/c13-9-1-2-10-11(8-16-12(10)7-9)15-5-3-14-4-6-15/h1-2,7-8,14H,3-6H2
InChIKeyLKWKCHLAFBZMEC-UHFFFAOYSA-N
XLogP1.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzofuran-3-yl)piperazine?
The IUPAC name of 1-(6-fluoro-1-benzofuran-3-yl)piperazine (CID 21471813) is 1-(6-fluoro-1-benzofuran-3-yl)piperazine.
What is the SMILES notation for 1-(6-fluoro-1-benzofuran-3-yl)piperazine?
The canonical SMILES for 1-(6-fluoro-1-benzofuran-3-yl)piperazine is Fc1ccc2c(N3CCNCC3)coc2c1.
What is the InChIKey of 1-(6-fluoro-1-benzofuran-3-yl)piperazine?
The InChIKey is LKWKCHLAFBZMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-1-2-10-11(8-16-12(10)7-9)15-5-3-14-4-6-15/h1-2,7-8,14H,3-6H2.
What are the key properties of 1-(6-fluoro-1-benzofuran-3-yl)piperazine?
1-(6-fluoro-1-benzofuran-3-yl)piperazine has a molecular weight of 220.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzofuran-3-yl)piperazine is sourced from PubChem (CID 21471813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).