(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

C17H20N4O — CID 6896964

IUPAC(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCOc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H20N4O/c1-22-16-7-5-15(6-8-16)14-19-21-12-10-20(11-13-21)17-4-2-3-9-18-17/h2-9,14H,10-13H2,1H3/b19-14+
InChIKeyHGXKRIMNUYXKRC-XMHGGMMESA-N
MW296.37 g/mol
LogP2.25
Rot. Bonds4

About (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6896964) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6896964
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCOc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H20N4O/c1-22-16-7-5-15(6-8-16)14-19-21-12-10-20(11-13-21)17-4-2-3-9-18-17/h2-9,14H,10-13H2,1H3/b19-14+
InChIKeyHGXKRIMNUYXKRC-XMHGGMMESA-N
XLogP2.25
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6896964) is (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is COc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is HGXKRIMNUYXKRC-XMHGGMMESA-N. The full InChI is InChI=1S/C17H20N4O/c1-22-16-7-5-15(6-8-16)14-19-21-12-10-20(11-13-21)17-4-2-3-9-18-17/h2-9,14H,10-13H2,1H3/b19-14+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 296.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6896964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).