1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine

C14H17FN2O — CID 22277283

IUPAC1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1cc(F)cc2ccoc12
InChIInChI=1S/C14H17FN2O/c1-14(2)9-16-4-5-17(14)12-8-11(15)7-10-3-6-18-13(10)12/h3,6-8,16H,4-5,9H2,1-2H3
InChIKeyCLOSODVYJTVLQC-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.76
Rot. Bonds1

About 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine

1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine (PubChem CID 22277283) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine
PubChem CID22277283
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1cc(F)cc2ccoc12
InChIInChI=1S/C14H17FN2O/c1-14(2)9-16-4-5-17(14)12-8-11(15)7-10-3-6-18-13(10)12/h3,6-8,16H,4-5,9H2,1-2H3
InChIKeyCLOSODVYJTVLQC-UHFFFAOYSA-N
XLogP2.76
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine (CID 22277283) is 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine is CC1(C)CNCCN1c1cc(F)cc2ccoc12.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine?
The InChIKey is CLOSODVYJTVLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-14(2)9-16-4-5-17(14)12-8-11(15)7-10-3-6-18-13(10)12/h3,6-8,16H,4-5,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine?
1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine has a molecular weight of 248.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine is sourced from PubChem (CID 22277283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).