(E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine

C18H21N3O — CID 6880130

IUPAC(E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESCC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccco1
InChIInChI=1S/C18H21N3O/c1-16(14-18-8-5-13-22-18)15-19-21-11-9-20(10-12-21)17-6-3-2-4-7-17/h2-8,13-15H,9-12H2,1H3/b16-14+,19-15+
InChIKeyAICSVHKDXCXLGP-BIASGTOTSA-N
MW295.39 g/mol
LogP3.49
Rot. Bonds4

About (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine

(E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (PubChem CID 6880130) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
PubChem CID6880130
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
SMILESCC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccco1
InChIInChI=1S/C18H21N3O/c1-16(14-18-8-5-13-22-18)15-19-21-11-9-20(10-12-21)17-6-3-2-4-7-17/h2-8,13-15H,9-12H2,1H3/b16-14+,19-15+
InChIKeyAICSVHKDXCXLGP-BIASGTOTSA-N
XLogP3.49
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.49
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-[(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
4-(4-chlorophenyl)-N-[(5-methyl-2-furyl)methylene]-1-piperazinamine
CID 6861898
4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
CID 781698
N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline
CID 781700
(1-Furan-2-yl-ethylidene)-(4-phenyl-piperazin-1-yl)-amine
CID 5344506
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,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The IUPAC name of (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine (CID 6880130) is (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The canonical SMILES for (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is CC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccco1.
What is the InChIKey of (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
The InChIKey is AICSVHKDXCXLGP-BIASGTOTSA-N. The full InChI is InChI=1S/C18H21N3O/c1-16(14-18-8-5-13-22-18)15-19-21-11-9-20(10-12-21)17-6-3-2-4-7-17/h2-8,13-15H,9-12H2,1H3/b16-14+,19-15+.
What are the key properties of (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine?
(E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine has a molecular weight of 295.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-3-(furan-2-yl)-2-methyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 6880130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).