2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol

C18H20N4O2 — CID 136766507

IUPAC2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N\N1CCN(/N=C/c2ccccc2O)CC1
InChIInChI=1S/C18H20N4O2/c23-17-7-3-1-5-15(17)13-19-21-9-11-22(12-10-21)20-14-16-6-2-4-8-18(16)24/h1-8,13-14,23-24H,9-12H2/b19-13-,20-14+
InChIKeyFPVMZPHZIIERDP-LRVMPXQBSA-N
MW324.38 g/mol
LogP2.08
Rot. Bonds4

About 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol

2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol (PubChem CID 136766507) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
PubChem CID136766507
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N\N1CCN(/N=C/c2ccccc2O)CC1
InChIInChI=1S/C18H20N4O2/c23-17-7-3-1-5-15(17)13-19-21-9-11-22(12-10-21)20-14-16-6-2-4-8-18(16)24/h1-8,13-14,23-24H,9-12H2/b19-13-,20-14+
InChIKeyFPVMZPHZIIERDP-LRVMPXQBSA-N
XLogP2.08
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136795193
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
2-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-4-bromophenol
CID 135936131
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
2-(carbazol-9-yliminomethyl)phenol
CID 691316
2-[(E)-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]iminomethyl]phenol
CID 135770318
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,3-diol
CID 136904662
2-(2H-1,3-thiazol-3-yliminomethyl)phenol
CID 141040351

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol (CID 136766507) is 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol is Oc1ccccc1/C=N\N1CCN(/N=C/c2ccccc2O)CC1.
What is the InChIKey of 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol?
The InChIKey is FPVMZPHZIIERDP-LRVMPXQBSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17-7-3-1-5-15(17)13-19-21-9-11-22(12-10-21)20-14-16-6-2-4-8-18(16)24/h1-8,13-14,23-24H,9-12H2/b19-13-,20-14+.
What are the key properties of 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol?
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol has a molecular weight of 324.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 136766507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).