2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine

C19H20N2O2 — CID 163230836

IUPAC2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine
SMILESc1cc(OCc2coc3ccccc23)nc(C2CCNCC2)c1
InChIInChI=1S/C19H20N2O2/c1-2-6-18-16(4-1)15(12-22-18)13-23-19-7-3-5-17(21-19)14-8-10-20-11-9-14/h1-7,12,14,20H,8-11,13H2
InChIKeyLHARTGGVQOBUFD-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.87
Rot. Bonds4

About 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine

2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine (PubChem CID 163230836) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine
PubChem CID163230836
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine
SMILESc1cc(OCc2coc3ccccc23)nc(C2CCNCC2)c1
InChIInChI=1S/C19H20N2O2/c1-2-6-18-16(4-1)15(12-22-18)13-23-19-7-3-5-17(21-19)14-8-10-20-11-9-14/h1-7,12,14,20H,8-11,13H2
InChIKeyLHARTGGVQOBUFD-UHFFFAOYSA-N
XLogP3.87
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine?
The IUPAC name of 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine (CID 163230836) is 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine.
What is the SMILES notation for 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine?
The canonical SMILES for 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine is c1cc(OCc2coc3ccccc23)nc(C2CCNCC2)c1.
What is the InChIKey of 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine?
The InChIKey is LHARTGGVQOBUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-6-18-16(4-1)15(12-22-18)13-23-19-7-3-5-17(21-19)14-8-10-20-11-9-14/h1-7,12,14,20H,8-11,13H2.
What are the key properties of 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine?
2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine has a molecular weight of 308.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine is sourced from PubChem (CID 163230836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).