1-(6-fluoro-1-benzofuran-7-yl)piperazine

C12H13FN2O — CID 10059313

IUPAC1-(6-fluoro-1-benzofuran-7-yl)piperazine
SMILESFc1ccc2ccoc2c1N1CCNCC1
InChIInChI=1S/C12H13FN2O/c13-10-2-1-9-3-8-16-12(9)11(10)15-6-4-14-5-7-15/h1-3,8,14H,4-7H2
InChIKeyNTJMWPWHUJJIOE-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.98
Rot. Bonds1

About 1-(6-fluoro-1-benzofuran-7-yl)piperazine

1-(6-fluoro-1-benzofuran-7-yl)piperazine (PubChem CID 10059313) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzofuran-7-yl)piperazine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzofuran-7-yl)piperazine
PubChem CID10059313
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(6-fluoro-1-benzofuran-7-yl)piperazine
SMILESFc1ccc2ccoc2c1N1CCNCC1
InChIInChI=1S/C12H13FN2O/c13-10-2-1-9-3-8-16-12(9)11(10)15-6-4-14-5-7-15/h1-3,8,14H,4-7H2
InChIKeyNTJMWPWHUJJIOE-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-7-yl)piperazine?
The IUPAC name of 1-(6-fluoro-1-benzofuran-7-yl)piperazine (CID 10059313) is 1-(6-fluoro-1-benzofuran-7-yl)piperazine.
What is the SMILES notation for 1-(6-fluoro-1-benzofuran-7-yl)piperazine?
The canonical SMILES for 1-(6-fluoro-1-benzofuran-7-yl)piperazine is Fc1ccc2ccoc2c1N1CCNCC1.
What is the InChIKey of 1-(6-fluoro-1-benzofuran-7-yl)piperazine?
The InChIKey is NTJMWPWHUJJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-10-2-1-9-3-8-16-12(9)11(10)15-6-4-14-5-7-15/h1-3,8,14H,4-7H2.
What are the key properties of 1-(6-fluoro-1-benzofuran-7-yl)piperazine?
1-(6-fluoro-1-benzofuran-7-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-7-yl)piperazine is sourced from PubChem (CID 10059313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).