[4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol

C14H16FNO2 — CID 22495771

IUPAC[4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol
SMILESOCC1CNCCC1c1cc(F)cc2ccoc12
InChIInChI=1S/C14H16FNO2/c15-11-5-9-2-4-18-14(9)13(6-11)12-1-3-16-7-10(12)8-17/h2,4-6,10,12,16-17H,1,3,7-8H2
InChIKeyHNADNGDDURDBOX-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.26
Rot. Bonds2

About [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol

[4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol (PubChem CID 22495771) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol
PubChem CID22495771
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name[4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol
SMILESOCC1CNCCC1c1cc(F)cc2ccoc12
InChIInChI=1S/C14H16FNO2/c15-11-5-9-2-4-18-14(9)13(6-11)12-1-3-16-7-10(12)8-17/h2,4-6,10,12,16-17H,1,3,7-8H2
InChIKeyHNADNGDDURDBOX-UHFFFAOYSA-N
XLogP2.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol?
The IUPAC name of [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol (CID 22495771) is [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol?
The canonical SMILES for [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol is OCC1CNCCC1c1cc(F)cc2ccoc12.
What is the InChIKey of [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol?
The InChIKey is HNADNGDDURDBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-11-5-9-2-4-18-14(9)13(6-11)12-1-3-16-7-10(12)8-17/h2,4-6,10,12,16-17H,1,3,7-8H2.
What are the key properties of [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol?
[4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol has a molecular weight of 249.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 22495771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).