2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

C19H23N3O3 — CID 135501765

IUPAC2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1cc(/C=N/N2CCN(c3ccccc3OC)CC2)ccc1O
InChIInChI=1S/C19H23N3O3/c1-24-18-6-4-3-5-16(18)21-9-11-22(12-10-21)20-14-15-7-8-17(23)19(13-15)25-2/h3-8,13-14,23H,9-12H2,1-2H3/b20-14+
InChIKeyBRNAGEXGPAEQKD-XSFVSMFZSA-N
MW341.41 g/mol
LogP2.57
Rot. Bonds5

About 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol

2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 135501765) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
PubChem CID135501765
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
SMILESCOc1cc(/C=N/N2CCN(c3ccccc3OC)CC2)ccc1O
InChIInChI=1S/C19H23N3O3/c1-24-18-6-4-3-5-16(18)21-9-11-22(12-10-21)20-14-15-7-8-17(23)19(13-15)25-2/h3-8,13-14,23H,9-12H2,1-2H3/b20-14+
InChIKeyBRNAGEXGPAEQKD-XSFVSMFZSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol
CID 135498032
2-{(1E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135544868
5-{[4-(4-Chloro-phenyl)-piperazin-1-ylimino]-methyl}-2-methoxy-phenol
CID 5726092
5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}-2-ethoxyphenol
CID 135635824
4-[(E)-{[4-(2-methoxyphenyl)piperazin-1-yl]imino}methyl]benzene-1,2-diol
CID 135455093
N-(2,3-dimethoxybenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727635
4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 402961
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,2-diol
CID 135544867
5-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-2-methoxyphenol
CID 763644
N'-(3-hydroxybenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 5344753

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol (CID 135501765) is 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is COc1cc(/C=N/N2CCN(c3ccccc3OC)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is BRNAGEXGPAEQKD-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-18-6-4-3-5-16(18)21-9-11-22(12-10-21)20-14-15-7-8-17(23)19(13-15)25-2/h3-8,13-14,23H,9-12H2,1-2H3/b20-14+.
What are the key properties of 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol?
2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135501765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).