(E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine

C18H23N3O — CID 5392041

IUPAC(E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
SMILESC/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccco1
InChIInChI=1S/C18H23N3O/c1-15-5-7-17(8-6-15)14-20-9-11-21(12-10-20)19-16(2)18-4-3-13-22-18/h3-8,13H,9-12,14H2,1-2H3/b19-16+
InChIKeyFULAEIXJHHYJQB-KNTRCKAVSA-N
MW297.40 g/mol
LogP3.13
Rot. Bonds4

About (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine

(E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine (PubChem CID 5392041) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
PubChem CID5392041
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
SMILESC/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccco1
InChIInChI=1S/C18H23N3O/c1-15-5-7-17(8-6-15)14-20-9-11-21(12-10-20)19-16(2)18-4-3-13-22-18/h3-8,13H,9-12,14H2,1-2H3/b19-16+
InChIKeyFULAEIXJHHYJQB-KNTRCKAVSA-N
XLogP3.13
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine (CID 5392041) is (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine is C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
The InChIKey is FULAEIXJHHYJQB-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-5-7-17(8-6-15)14-20-9-11-21(12-10-20)19-16(2)18-4-3-13-22-18/h3-8,13H,9-12,14H2,1-2H3/b19-16+.
What are the key properties of (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine?
(E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine has a molecular weight of 297.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine is sourced from PubChem (CID 5392041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).