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

C16H17BrN4 — CID 5342718

IUPAC(E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESBrc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H17BrN4/c17-15-6-4-14(5-7-15)13-19-21-11-9-20(10-12-21)16-3-1-2-8-18-16/h1-8,13H,9-12H2/b19-13+
InChIKeyWXZJXFSHOLVUHW-CPNJWEJPSA-N
MW345.24 g/mol
LogP3.00
Rot. Bonds3

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

(E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 5342718) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID5342718
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name(E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESBrc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H17BrN4/c17-15-6-4-14(5-7-15)13-19-21-11-9-20(10-12-21)16-3-1-2-8-18-16/h1-8,13H,9-12H2/b19-13+
InChIKeyWXZJXFSHOLVUHW-CPNJWEJPSA-N
XLogP3.00
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.00
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-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 5342718) is (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is Brc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is WXZJXFSHOLVUHW-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H17BrN4/c17-15-6-4-14(5-7-15)13-19-21-11-9-20(10-12-21)16-3-1-2-8-18-16/h1-8,13H,9-12H2/b19-13+.
What are the key properties of (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 345.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5342718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).