(E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine

C16H19N3O — CID 5344506

IUPAC(E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine
SMILESC/C(=N\N1CCN(c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C16H19N3O/c1-14(16-8-5-13-20-16)17-19-11-9-18(10-12-19)15-6-3-2-4-7-15/h2-8,13H,9-12H2,1H3/b17-14+
InChIKeyWUOUAKZPZMQCKD-SAPNQHFASA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds3

About (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine

(E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine (PubChem CID 5344506) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine
PubChem CID5344506
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine
SMILESC/C(=N\N1CCN(c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C16H19N3O/c1-14(16-8-5-13-20-16)17-19-11-9-18(10-12-19)15-6-3-2-4-7-15/h2-8,13H,9-12H2,1H3/b17-14+
InChIKeyWUOUAKZPZMQCKD-SAPNQHFASA-N
XLogP2.83
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-2-furyl)methylene]-4-(4-methylphenyl)-1-piperazinamine
CID 5398195
(E)-3-(furan-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 963834
N-(2-Ethoxy-phenyl)-2-(3-furan-2-yl-6-oxo-6H-pyridazin-1-yl)-acetamide
CID 6500966
N-[(E)-1-(furan-2-yl)ethylideneamino]-N-phenylaniline
CID 9625356
(E)-4-((furan-2-ylmethylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
CID 624533
N-[(E,2E)-3-(2-furyl)-2-methyl-2-propenylidene]-4-phenyl-1-piperazinamine
CID 6880130
4-(4-chlorophenyl)-N-[(5-methyl-2-furyl)methylene]-1-piperazinamine
CID 6861898
4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
CID 781698
N-[3-(2-furyl)-2-propen-1-ylidene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5347460
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(5-methyl-furan-2-ylmethylene)-amine
CID 5392020
(E)-N-((Z)-3-(furan-2-yl)-2-methylallylidene)-4-phenylpiperazin-1-amine
CID 9579635
N-benzyl-N-[(E)-furan-2-ylmethylideneamino]aniline
CID 9652867

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine (CID 5344506) is (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine is C/C(=N\N1CCN(c2ccccc2)CC1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The InChIKey is WUOUAKZPZMQCKD-SAPNQHFASA-N. The full InChI is InChI=1S/C16H19N3O/c1-14(16-8-5-13-20-16)17-19-11-9-18(10-12-19)15-6-3-2-4-7-15/h2-8,13H,9-12H2,1H3/b17-14+.
What are the key properties of (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine?
(E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine has a molecular weight of 269.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 5344506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).