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

C14H16N4O — CID 5343017

IUPAC(E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\c1ccco1
InChIInChI=1S/C14H16N4O/c1-2-6-15-14(5-1)17-7-9-18(10-8-17)16-12-13-4-3-11-19-13/h1-6,11-12H,7-10H2/b16-12+
InChIKeyBHHPXUKVKGUDOC-FOWTUZBSSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds3

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

(E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 5343017) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID5343017
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\c1ccco1
InChIInChI=1S/C14H16N4O/c1-2-6-15-14(5-1)17-7-9-18(10-8-17)16-12-13-4-3-11-19-13/h1-6,11-12H,7-10H2/b16-12+
InChIKeyBHHPXUKVKGUDOC-FOWTUZBSSA-N
XLogP1.83
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 5343017) is (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is C(=N/N1CCN(c2ccccn2)CC1)\c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is BHHPXUKVKGUDOC-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-6-15-14(5-1)17-7-9-18(10-8-17)16-12-13-4-3-11-19-13/h1-6,11-12H,7-10H2/b16-12+.
What are the key properties of (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 256.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5343017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).