4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol

C24H23N3O2 — CID 1346935

IUPAC4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
SMILESOc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(O)c1
InChIInChI=1S/C24H23N3O2/c28-18-10-9-17(23(29)15-18)16-25-27-13-11-26(12-14-27)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24,28-29H,11-14H2
InChIKeyCDGPPGCEYYZDBQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.82
Rot. Bonds3

About 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol

4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol (PubChem CID 1346935) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
PubChem CID1346935
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
SMILESOc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(O)c1
InChIInChI=1S/C24H23N3O2/c28-18-10-9-17(23(29)15-18)16-25-27-13-11-26(12-14-27)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24,28-29H,11-14H2
InChIKeyCDGPPGCEYYZDBQ-UHFFFAOYSA-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_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol with MolForge

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Related Compounds

4-[[[4-(9H-fluoren-9-yl)-1-piperazinyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
CID 135433281
4-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-benzene-1,2-diol
CID 135630064
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
4-({[4-(9H-fluoren-9-yl)piperazin-1-yl]imino}methyl)-2,6-dimethoxyphenol
CID 135517091
4-(((4-Benzyl-1-piperazinyl)imino)methyl)-1,3-benzenediol
CID 135603178
4-[(E)-[4-(2-phenylethyl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136934968
4-[(E)-(4-cyclohexylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934969
4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934970
4-[(E)-{[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]imino}methyl]-3-hydroxyphenolate
CID 135650843
4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135894227
4-[(E)-{[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]imino}methyl]phenolate
CID 9619062

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol (CID 1346935) is 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol is Oc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(O)c1.
What is the InChIKey of 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol?
The InChIKey is CDGPPGCEYYZDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-18-10-9-17(23(29)15-18)16-25-27-13-11-26(12-14-27)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24,28-29H,11-14H2.
What are the key properties of 4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol?
4-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-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-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 1346935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).