(E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine

C13H19N3O — CID 6897686

IUPAC(E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccc(/C=N/N2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)14-11-12-3-5-13(17-2)6-4-12/h3-6,11H,7-10H2,1-2H3/b14-11+
InChIKeyKFEMZYLXBHGTJJ-SDNWHVSQSA-N
MW233.31 g/mol
LogP1.28
Rot. Bonds3

About (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine

(E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 6897686) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID6897686
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
SMILESCOc1ccc(/C=N/N2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)14-11-12-3-5-13(17-2)6-4-12/h3-6,11H,7-10H2,1-2H3/b14-11+
InChIKeyKFEMZYLXBHGTJJ-SDNWHVSQSA-N
XLogP1.28
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.28
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-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine (CID 6897686) is (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is COc1ccc(/C=N/N2CCN(C)CC2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is KFEMZYLXBHGTJJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-7-9-16(10-8-15)14-11-12-3-5-13(17-2)6-4-12/h3-6,11H,7-10H2,1-2H3/b14-11+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine?
(E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 233.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6897686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).