2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol

C20H20N2O2 — CID 135800934

IUPAC2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1oc2ccccc2c1N1CCCCC1
InChIInChI=1S/C20H20N2O2/c23-17-10-4-2-8-15(17)14-21-20-19(22-12-6-1-7-13-22)16-9-3-5-11-18(16)24-20/h2-5,8-11,14,23H,1,6-7,12-13H2/b21-14+
InChIKeyHIKOAEYGPDITJG-KGENOOAVSA-N
MW320.39 g/mol
LogP4.88
Rot. Bonds3

About 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol

2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol (PubChem CID 135800934) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol
PubChem CID135800934
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1oc2ccccc2c1N1CCCCC1
InChIInChI=1S/C20H20N2O2/c23-17-10-4-2-8-15(17)14-21-20-19(22-12-6-1-7-13-22)16-9-3-5-11-18(16)24-20/h2-5,8-11,14,23H,1,6-7,12-13H2/b21-14+
InChIKeyHIKOAEYGPDITJG-KGENOOAVSA-N
XLogP4.88
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol (CID 135800934) is 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol is Oc1ccccc1/C=N/c1oc2ccccc2c1N1CCCCC1.
What is the InChIKey of 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol?
The InChIKey is HIKOAEYGPDITJG-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-17-10-4-2-8-15(17)14-21-20-19(22-12-6-1-7-13-22)16-9-3-5-11-18(16)24-20/h2-5,8-11,14,23H,1,6-7,12-13H2/b21-14+.
What are the key properties of 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol?
2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135800934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).