(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine

C21H27N3O4 — CID 6886949

IUPAC(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N/N2CCN(c3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-25-16-13-20(27-3)17(21(14-16)28-4)15-22-24-11-9-23(10-12-24)18-7-5-6-8-19(18)26-2/h5-8,13-15H,9-12H2,1-4H3/b22-15+
InChIKeyFCOFGKGHZVFZFE-PXLXIMEGSA-N
MW385.46 g/mol
LogP2.88
Rot. Bonds7

About (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine

(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine (PubChem CID 6886949) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
PubChem CID6886949
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N/N2CCN(c3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-25-16-13-20(27-3)17(21(14-16)28-4)15-22-24-11-9-23(10-12-24)18-7-5-6-8-19(18)26-2/h5-8,13-15H,9-12H2,1-4H3/b22-15+
InChIKeyFCOFGKGHZVFZFE-PXLXIMEGSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
The IUPAC name of (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine (CID 6886949) is (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine is COc1cc(OC)c(/C=N/N2CCN(c3ccccc3OC)CC2)c(OC)c1.
What is the InChIKey of (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
The InChIKey is FCOFGKGHZVFZFE-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-25-16-13-20(27-3)17(21(14-16)28-4)15-22-24-11-9-23(10-12-24)18-7-5-6-8-19(18)26-2/h5-8,13-15H,9-12H2,1-4H3/b22-15+.
What are the key properties of (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine has a molecular weight of 385.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine is sourced from PubChem (CID 6886949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).