2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol

C18H22N4O2 — CID 135457671

IUPAC2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
SMILESCCOc1cc(/C=N/N2CCN(c3ccccn3)CC2)ccc1O
InChIInChI=1S/C18H22N4O2/c1-2-24-17-13-15(6-7-16(17)23)14-20-22-11-9-21(10-12-22)18-5-3-4-8-19-18/h3-8,13-14,23H,2,9-12H2,1H3/b20-14+
InChIKeyRZEABXZSQWHLFK-XSFVSMFZSA-N
MW326.40 g/mol
LogP2.34
Rot. Bonds5

About 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol

2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 135457671) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
PubChem CID135457671
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
SMILESCCOc1cc(/C=N/N2CCN(c3ccccn3)CC2)ccc1O
InChIInChI=1S/C18H22N4O2/c1-2-24-17-13-15(6-7-16(17)23)14-20-22-11-9-21(10-12-22)18-5-3-4-8-19-18/h3-8,13-14,23H,2,9-12H2,1H3/b20-14+
InChIKeyRZEABXZSQWHLFK-XSFVSMFZSA-N
XLogP2.34
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.34
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-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135928779
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-2-ethoxyphenol
CID 1184891
(Z)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5413994
(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6896964
2,6-ditert-butyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135609546
4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-2-ethoxyphenol
CID 1358323
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
4-[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]-2-ethoxyphenol
CID 2144594
(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6861842
4-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 135494794

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol (CID 135457671) is 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol is CCOc1cc(/C=N/N2CCN(c3ccccn3)CC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is RZEABXZSQWHLFK-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-17-13-15(6-7-16(17)23)14-20-22-11-9-21(10-12-22)18-5-3-4-8-19-18/h3-8,13-14,23H,2,9-12H2,1H3/b20-14+.
What are the key properties of 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 326.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135457671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).