4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine

C14H16FNO — CID 22495529

IUPAC4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1c(F)ccc2ccoc12
InChIInChI=1S/C14H16FNO/c1-9-8-16-6-4-11(9)13-12(15)3-2-10-5-7-17-14(10)13/h2-3,5,7,9,11,16H,4,6,8H2,1H3
InChIKeyGEMICUMDOFREMB-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.28
Rot. Bonds1

About 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine

4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine (PubChem CID 22495529) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine
PubChem CID22495529
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1c(F)ccc2ccoc12
InChIInChI=1S/C14H16FNO/c1-9-8-16-6-4-11(9)13-12(15)3-2-10-5-7-17-14(10)13/h2-3,5,7,9,11,16H,4,6,8H2,1H3
InChIKeyGEMICUMDOFREMB-UHFFFAOYSA-N
XLogP3.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The IUPAC name of 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine (CID 22495529) is 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine.
What is the SMILES notation for 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The canonical SMILES for 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine is CC1CNCCC1c1c(F)ccc2ccoc12.
What is the InChIKey of 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The InChIKey is GEMICUMDOFREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9-8-16-6-4-11(9)13-12(15)3-2-10-5-7-17-14(10)13/h2-3,5,7,9,11,16H,4,6,8H2,1H3.
What are the key properties of 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine has a molecular weight of 233.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-benzofuran-7-yl)-3-methylpiperidine is sourced from PubChem (CID 22495529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).