(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C20H21N3O — CID 6886402

IUPAC(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccco1
InChIInChI=1S/C20H21N3O/c1-2-9-20-17(5-1)6-3-7-18(20)16-22-10-12-23(13-11-22)21-15-19-8-4-14-24-19/h1-9,14-15H,10-13,16H2/b21-15+
InChIKeyOHOZWMLATLVAIH-RCCKNPSSSA-N
MW319.41 g/mol
LogP3.58
Rot. Bonds4

About (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 6886402) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID6886402
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccco1
InChIInChI=1S/C20H21N3O/c1-2-9-20-17(5-1)6-3-7-18(20)16-22-10-12-23(13-11-22)21-15-19-8-4-14-24-19/h1-9,14-15H,10-13,16H2/b21-15+
InChIKeyOHOZWMLATLVAIH-RCCKNPSSSA-N
XLogP3.58
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine 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-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 6886402) is (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is OHOZWMLATLVAIH-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-9-20-17(5-1)6-3-7-18(20)16-22-10-12-23(13-11-22)21-15-19-8-4-14-24-19/h1-9,14-15H,10-13,16H2/b21-15+.
What are the key properties of (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 319.41 g/mol, XLogP of 3.58, 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-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6886402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).