2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol

C18H22N4O2 — CID 135928779

IUPAC2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
SMILESCCOc1cccc(/C=N\N2CCN(c3ccccn3)CC2)c1O
InChIInChI=1S/C18H22N4O2/c1-2-24-16-7-5-6-15(18(16)23)14-20-22-12-10-21(11-13-22)17-8-3-4-9-19-17/h3-9,14,23H,2,10-13H2,1H3/b20-14-
InChIKeyXHTITEXGXBUVDF-ZHZULCJRSA-N
MW326.40 g/mol
LogP2.34
Rot. Bonds5

About 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol

2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 135928779) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
PubChem CID135928779
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
SMILESCCOc1cccc(/C=N\N2CCN(c3ccccn3)CC2)c1O
InChIInChI=1S/C18H22N4O2/c1-2-24-16-7-5-6-15(18(16)23)14-20-22-12-10-21(11-13-22)17-8-3-4-9-19-17/h3-9,14,23H,2,10-13H2,1H3/b20-14-
InChIKeyXHTITEXGXBUVDF-ZHZULCJRSA-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_A(479)', '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-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135457671
2-ethoxy-6-[(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 136666054
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-ethoxyphenol
CID 2868303
2-ethoxy-6-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852425
2-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-6-ethoxyphenol
CID 135948689
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2,6-ditert-butyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135609546
2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]-6-ethoxyphenol
CID 135821474
(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
(Z)-1-(2,4-dichlorophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5402226

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol (CID 135928779) is 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol is CCOc1cccc(/C=N\N2CCN(c3ccccn3)CC2)c1O.
What is the InChIKey of 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is XHTITEXGXBUVDF-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-16-7-5-6-15(18(16)23)14-20-22-12-10-21(11-13-22)17-8-3-4-9-19-17/h3-9,14,23H,2,10-13H2,1H3/b20-14-.
What are the key properties of 2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
2-ethoxy-6-[(Z)-(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-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135928779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).