1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine

C14H17N3O — CID 55158441

IUPAC1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(/c1cc2ccccc2o1)N1CCN(C)CC1
InChIInChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(15)13-10-11-4-2-3-5-12(11)18-13/h2-5,10,15H,6-9H2,1H3/b15-14-
InChIKeyOSYYERAFRCNYAR-PFONDFGASA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds1

About 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine

1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine (PubChem CID 55158441) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine
PubChem CID55158441
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(/c1cc2ccccc2o1)N1CCN(C)CC1
InChIInChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(15)13-10-11-4-2-3-5-12(11)18-13/h2-5,10,15H,6-9H2,1H3/b15-14-
InChIKeyOSYYERAFRCNYAR-PFONDFGASA-N
XLogP2.01
TPSA43.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine (CID 55158441) is 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine is [H]/N=C(/c1cc2ccccc2o1)N1CCN(C)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is OSYYERAFRCNYAR-PFONDFGASA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(15)13-10-11-4-2-3-5-12(11)18-13/h2-5,10,15H,6-9H2,1H3/b15-14-.
What are the key properties of 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine?
1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 243.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 55158441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).