2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

C18H19I2N3O2 — CID 135506049

IUPAC2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C/c2cc(I)cc(I)c2O)CC1
InChIInChI=1S/C18H19I2N3O2/c1-25-17-5-3-2-4-16(17)22-6-8-23(9-7-22)21-12-13-10-14(19)11-15(20)18(13)24/h2-5,10-12,24H,6-9H2,1H3/b21-12+
InChIKeyUUHLNZNUSPICLO-CIAFOILYSA-N
MW563.18 g/mol
LogP3.77
Rot. Bonds4

About 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 135506049) has the molecular formula C18H19I2N3O2 and a molecular weight of 563.18 g/mol. Its IUPAC name is 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
PubChem CID135506049
Molecular FormulaC18H19I2N3O2
Molecular Weight563.18 g/mol
Exact Mass562.96
IUPAC Name2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C/c2cc(I)cc(I)c2O)CC1
InChIInChI=1S/C18H19I2N3O2/c1-25-17-5-3-2-4-16(17)22-6-8-23(9-7-22)21-12-13-10-14(19)11-15(20)18(13)24/h2-5,10-12,24H,6-9H2,1H3/b21-12+
InChIKeyUUHLNZNUSPICLO-CIAFOILYSA-N
XLogP3.77
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
2,4-diiodo-6-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135526874
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6878409
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135877641

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (CID 135506049) is 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is COc1ccccc1N1CCN(/N=C/c2cc(I)cc(I)c2O)CC1.
What is the InChIKey of 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is UUHLNZNUSPICLO-CIAFOILYSA-N. The full InChI is InChI=1S/C18H19I2N3O2/c1-25-17-5-3-2-4-16(17)22-6-8-23(9-7-22)21-12-13-10-14(19)11-15(20)18(13)24/h2-5,10-12,24H,6-9H2,1H3/b21-12+.
What are the key properties of 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol has a molecular weight of 563.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135506049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).