(E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine

C18H20N4 — CID 6861869

IUPAC(E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4/c1-2-7-17(8-3-1)9-6-12-20-22-15-13-21(14-16-22)18-10-4-5-11-19-18/h1-12H,13-16H2/b9-6+,20-12+
InChIKeyDYJPBWZMZVMRSW-XCHVBMRISA-N
MW292.39 g/mol
LogP2.90
Rot. Bonds4

About (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine

(E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine (PubChem CID 6861869) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine
PubChem CID6861869
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name(E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4/c1-2-7-17(8-3-1)9-6-12-20-22-15-13-21(14-16-22)18-10-4-5-11-19-18/h1-12H,13-16H2/b9-6+,20-12+
InChIKeyDYJPBWZMZVMRSW-XCHVBMRISA-N
XLogP2.90
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
The IUPAC name of (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine (CID 6861869) is (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
The canonical SMILES for (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine is C(=C/c1ccccc1)\C=N\N1CCN(c2ccccn2)CC1.
What is the InChIKey of (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
The InChIKey is DYJPBWZMZVMRSW-XCHVBMRISA-N. The full InChI is InChI=1S/C18H20N4/c1-2-7-17(8-3-1)9-6-12-20-22-15-13-21(14-16-22)18-10-4-5-11-19-18/h1-12H,13-16H2/b9-6+,20-12+.
What are the key properties of (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
(E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine has a molecular weight of 292.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 6861869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).