1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine

C14H17FN2O — CID 117174212

IUPAC1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2coc3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN2O/c1-16-4-6-17(7-5-16)9-11-10-18-14-3-2-12(15)8-13(11)14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyQSGCLCYSSCWRPH-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.32
Rot. Bonds2

About 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine

1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine (PubChem CID 117174212) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
PubChem CID117174212
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2coc3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN2O/c1-16-4-6-17(7-5-16)9-11-10-18-14-3-2-12(15)8-13(11)14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyQSGCLCYSSCWRPH-UHFFFAOYSA-N
XLogP2.32
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine (CID 117174212) is 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine is CN1CCN(Cc2coc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine?
The InChIKey is QSGCLCYSSCWRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-16-4-6-17(7-5-16)9-11-10-18-14-3-2-12(15)8-13(11)14/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine?
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine has a molecular weight of 248.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 117174212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).