6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol

C19H20N2O2 — CID 162653899

IUPAC6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol
SMILESOc1c(C(c2ccncc2)N2CCCCC2)ccc2ccoc12
InChIInChI=1S/C19H20N2O2/c22-18-16(5-4-15-8-13-23-19(15)18)17(14-6-9-20-10-7-14)21-11-2-1-3-12-21/h4-10,13,17,22H,1-3,11-12H2
InChIKeyGJSGJEFEHZQMOS-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.11
Rot. Bonds3

About 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol

6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol (PubChem CID 162653899) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol.

Molecular Properties

Compound Name6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol
PubChem CID162653899
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol
SMILESOc1c(C(c2ccncc2)N2CCCCC2)ccc2ccoc12
InChIInChI=1S/C19H20N2O2/c22-18-16(5-4-15-8-13-23-19(15)18)17(14-6-9-20-10-7-14)21-11-2-1-3-12-21/h4-10,13,17,22H,1-3,11-12H2
InChIKeyGJSGJEFEHZQMOS-UHFFFAOYSA-N
XLogP4.11
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol?
The IUPAC name of 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol (CID 162653899) is 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol.
What is the SMILES notation for 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol?
The canonical SMILES for 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol is Oc1c(C(c2ccncc2)N2CCCCC2)ccc2ccoc12.
What is the InChIKey of 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol?
The InChIKey is GJSGJEFEHZQMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-16(5-4-15-8-13-23-19(15)18)17(14-6-9-20-10-7-14)21-11-2-1-3-12-21/h4-10,13,17,22H,1-3,11-12H2.
What are the key properties of 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol?
6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol has a molecular weight of 308.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[piperidin-1-yl(pyridin-4-yl)methyl]-1-benzofuran-7-ol is sourced from PubChem (CID 162653899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).