4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol

C18H20N4O4 — CID 136795193

IUPAC4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\N2CCN(/N=C/c3ccc(O)cc3O)CC2)c(O)c1
InChIInChI=1S/C18H20N4O4/c23-15-3-1-13(17(25)9-15)11-19-21-5-7-22(8-6-21)20-12-14-2-4-16(24)10-18(14)26/h1-4,9-12,23-26H,5-8H2/b19-11-,20-12+
InChIKeyBRFSGOLVUFKOST-UHWBUFEVSA-N
MW356.38 g/mol
LogP1.49
Rot. Bonds4

About 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol

4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol (PubChem CID 136795193) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
PubChem CID136795193
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\N2CCN(/N=C/c3ccc(O)cc3O)CC2)c(O)c1
InChIInChI=1S/C18H20N4O4/c23-15-3-1-13(17(25)9-15)11-19-21-5-7-22(8-6-21)20-12-14-2-4-16(24)10-18(14)26/h1-4,9-12,23-26H,5-8H2/b19-11-,20-12+
InChIKeyBRFSGOLVUFKOST-UHWBUFEVSA-N
XLogP1.49
TPSA112.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol with MolForge

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Related Compounds

4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
4-[(Z)-morpholin-4-yliminomethyl]benzene-1,3-diol
CID 136904662
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
4-bromo-2-[(E)-[4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766508
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]benzene-1,3-diol
CID 135692375
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
5-(diethylamino)-2-[(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 2343475
3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137120233
(1S,2S,6S,7R)-4-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 135910573

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol (CID 136795193) is 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N\N2CCN(/N=C/c3ccc(O)cc3O)CC2)c(O)c1.
What is the InChIKey of 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol?
The InChIKey is BRFSGOLVUFKOST-UHWBUFEVSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-15-3-1-13(17(25)9-15)11-19-21-5-7-22(8-6-21)20-12-14-2-4-16(24)10-18(14)26/h1-4,9-12,23-26H,5-8H2/b19-11-,20-12+.
What are the key properties of 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol?
4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol has a molecular weight of 356.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 136795193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).