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

C20H20N4 — CID 5342978

IUPAC(E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\c1cccc2ccccc12
InChIInChI=1S/C20H20N4/c1-2-9-19-17(6-1)7-5-8-18(19)16-22-24-14-12-23(13-15-24)20-10-3-4-11-21-20/h1-11,16H,12-15H2/b22-16+
InChIKeyFJOQIFPIIVOWOU-CJLVFECKSA-N
MW316.41 g/mol
LogP3.39
Rot. Bonds3

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

(E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 5342978) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID5342978
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name(E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\c1cccc2ccccc12
InChIInChI=1S/C20H20N4/c1-2-9-19-17(6-1)7-5-8-18(19)16-22-24-14-12-23(13-15-24)20-10-3-4-11-21-20/h1-11,16H,12-15H2/b22-16+
InChIKeyFJOQIFPIIVOWOU-CJLVFECKSA-N
XLogP3.39
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.39
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-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 5342978) is (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is C(=N/N1CCN(c2ccccn2)CC1)\c1cccc2ccccc12.
What is the InChIKey of (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is FJOQIFPIIVOWOU-CJLVFECKSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-9-19-17(6-1)7-5-8-18(19)16-22-24-14-12-23(13-15-24)20-10-3-4-11-21-20/h1-11,16H,12-15H2/b22-16+.
What are the key properties of (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 316.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-1-yl-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5342978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).