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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Related Compounds

2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol
CID 139759538
2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol
CID 139759541
piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
CID 779278
2-[(E)-[[4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 169487947
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
CID 3056190
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
2-nitroso-1-benzofuran-3-ol
CID 595970
3-piperidin-1-yl-2-propoxychromen-4-one
CID 157240425
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569
cobalt;3-hydroxy-2-phenylchromen-4-one;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135405100
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570

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).