(E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine

C17H21N3O — CID 5398195

IUPAC(E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
SMILESCc1ccc(N2CCN(/N=C/c3ccc(C)o3)CC2)cc1
InChIInChI=1S/C17H21N3O/c1-14-3-6-16(7-4-14)19-9-11-20(12-10-19)18-13-17-8-5-15(2)21-17/h3-8,13H,9-12H2,1-2H3/b18-13+
InChIKeySRPFVHCAFYFSOT-QGOAFFKASA-N
MW283.38 g/mol
LogP3.05
Rot. Bonds3

About (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine

(E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine (PubChem CID 5398195) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
PubChem CID5398195
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
SMILESCc1ccc(N2CCN(/N=C/c3ccc(C)o3)CC2)cc1
InChIInChI=1S/C17H21N3O/c1-14-3-6-16(7-4-14)19-9-11-20(12-10-19)18-13-17-8-5-15(2)21-17/h3-8,13H,9-12H2,1-2H3/b18-13+
InChIKeySRPFVHCAFYFSOT-QGOAFFKASA-N
XLogP3.05
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine (CID 5398195) is (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine is Cc1ccc(N2CCN(/N=C/c3ccc(C)o3)CC2)cc1.
What is the InChIKey of (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The InChIKey is SRPFVHCAFYFSOT-QGOAFFKASA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-3-6-16(7-4-14)19-9-11-20(12-10-19)18-13-17-8-5-15(2)21-17/h3-8,13H,9-12H2,1-2H3/b18-13+.
What are the key properties of (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
(E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine has a molecular weight of 283.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methylfuran-2-yl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5398195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).