4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol

C24H23N3O2 — CID 135630064

IUPAC4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1O
InChIInChI=1S/C24H23N3O2/c28-22-10-9-17(15-23(22)29)16-25-27-13-11-26(12-14-27)24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-10,15-16,24,28-29H,11-14H2/b25-16+
InChIKeyGKLQFLINJRNJOX-PCLIKHOPSA-N
MW385.47 g/mol
LogP3.82
Rot. Bonds3

About 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol

4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol (PubChem CID 135630064) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol
PubChem CID135630064
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1O
InChIInChI=1S/C24H23N3O2/c28-22-10-9-17(15-23(22)29)16-25-27-13-11-26(12-14-27)24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-10,15-16,24,28-29H,11-14H2/b25-16+
InChIKeyGKLQFLINJRNJOX-PCLIKHOPSA-N
XLogP3.82
TPSA59.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-{[4-(4-Methyl-benzyl)-piperazin-1-ylimino]-methyl}-benzene-1,2-diol
CID 135544886
5-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol
CID 6905992
4-[[[4-(9H-fluoren-9-yl)-1-piperazinyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
CID 135433281
3-({[4-(9H-fluoren-9-yl)piperazin-1-yl]imino}methyl)phenol
CID 5350800
4-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-phenol
CID 135505981
(E)-4-(((4-benzylpiperazin-1-yl)imino)methyl)benzene-1,2-diol
CID 135495568
(E)-N-(3,4-dimethoxybenzylidene)-4-(9H-fluoren-9-yl)piperazin-1-amine
CID 6887111
2-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-6-methoxy-phenol
CID 135505971
4-({[4-(9H-fluoren-9-yl)piperazin-1-yl]imino}methyl)-2,6-dimethoxyphenol
CID 135517091
4-({[4-(9H-fluoren-9-yl)-1-piperazinyl]imino}methyl)-2-methoxyphenol
CID 135501762
4-((E)-{[4-(1-naphthylmethyl)-1-piperazinyl]imino}methyl)-1,2-benzenediol
CID 135492311
4-[(Z)-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)iminomethyl]benzene-1,2-diol
CID 135964587

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol (CID 135630064) is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol is Oc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1O.
What is the InChIKey of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol?
The InChIKey is GKLQFLINJRNJOX-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-22-10-9-17(15-23(22)29)16-25-27-13-11-26(12-14-27)24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-10,15-16,24,28-29H,11-14H2/b25-16+.
What are the key properties of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol?
4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol has a molecular weight of 385.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 135630064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).