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

C21H23N3O — CID 5343529

IUPAC(E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)o1
InChIInChI=1S/C21H23N3O/c1-17-9-10-20(25-17)15-22-24-13-11-23(12-14-24)16-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,15H,11-14,16H2,1H3/b22-15+
InChIKeyGCAHYSLVENLHEM-PXLXIMEGSA-N
MW333.44 g/mol
LogP3.89
Rot. Bonds4

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

(E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 5343529) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID5343529
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)o1
InChIInChI=1S/C21H23N3O/c1-17-9-10-20(25-17)15-22-24-13-11-23(12-14-24)16-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,15H,11-14,16H2,1H3/b22-15+
InChIKeyGCAHYSLVENLHEM-PXLXIMEGSA-N
XLogP3.89
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 5343529) is (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is Cc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)o1.
What is the InChIKey of (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is GCAHYSLVENLHEM-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17-9-10-20(25-17)15-22-24-13-11-23(12-14-24)16-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,15H,11-14,16H2,1H3/b22-15+.
What are the key properties of (E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(5-methylfuran-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 333.44 g/mol, XLogP of 3.89, 4 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-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5343529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).