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

C20H26N4 — CID 6861851

IUPAC(E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCC(C)(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-20(2,3)18-9-7-17(8-10-18)16-22-24-14-12-23(13-15-24)19-6-4-5-11-21-19/h4-11,16H,12-15H2,1-3H3/b22-16+
InChIKeyXRVQYYVEBAKVRG-CJLVFECKSA-N
MW322.46 g/mol
LogP3.54
Rot. Bonds3

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

(E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6861851) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6861851
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name(E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCC(C)(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-20(2,3)18-9-7-17(8-10-18)16-22-24-14-12-23(13-15-24)19-6-4-5-11-21-19/h4-11,16H,12-15H2,1-3H3/b22-16+
InChIKeyXRVQYYVEBAKVRG-CJLVFECKSA-N
XLogP3.54
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.54
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-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6861851) is (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is CC(C)(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is XRVQYYVEBAKVRG-CJLVFECKSA-N. The full InChI is InChI=1S/C20H26N4/c1-20(2,3)18-9-7-17(8-10-18)16-22-24-14-12-23(13-15-24)19-6-4-5-11-21-19/h4-11,16H,12-15H2,1-3H3/b22-16+.
What are the key properties of (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 322.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butylphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6861851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).