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

C18H22N4 — CID 6861839

IUPAC(E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCCc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4/c1-2-16-6-8-17(9-7-16)15-20-22-13-11-21(12-14-22)18-5-3-4-10-19-18/h3-10,15H,2,11-14H2,1H3/b20-15+
InChIKeyFHKPGTROQGHUSW-HMMYKYKNSA-N
MW294.40 g/mol
LogP2.80
Rot. Bonds4

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

(E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6861839) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6861839
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCCc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4/c1-2-16-6-8-17(9-7-16)15-20-22-13-11-21(12-14-22)18-5-3-4-10-19-18/h3-10,15H,2,11-14H2,1H3/b20-15+
InChIKeyFHKPGTROQGHUSW-HMMYKYKNSA-N
XLogP2.80
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.80
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-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6861839) is (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is CCc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is FHKPGTROQGHUSW-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-16-6-8-17(9-7-16)15-20-22-13-11-21(12-14-22)18-5-3-4-10-19-18/h3-10,15H,2,11-14H2,1H3/b20-15+.
What are the key properties of (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 294.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6861839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).