4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol

C26H27N3O3 — CID 135517091

IUPAC4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1O
InChIInChI=1S/C26H27N3O3/c1-31-23-15-18(16-24(32-2)26(23)30)17-27-29-13-11-28(12-14-29)25-21-9-5-3-7-19(21)20-8-4-6-10-22(20)25/h3-10,15-17,25,30H,11-14H2,1-2H3/b27-17+
InChIKeyOXPFORPTVXTJSC-WPWMEQJKSA-N
MW429.52 g/mol
LogP4.13
Rot. Bonds5

About 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol

4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol (PubChem CID 135517091) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol
PubChem CID135517091
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1O
InChIInChI=1S/C26H27N3O3/c1-31-23-15-18(16-24(32-2)26(23)30)17-27-29-13-11-28(12-14-29)25-21-9-5-3-7-19(21)20-8-4-6-10-22(20)25/h3-10,15-17,25,30H,11-14H2,1-2H3/b27-17+
InChIKeyOXPFORPTVXTJSC-WPWMEQJKSA-N
XLogP4.13
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethoxy-4-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135492297
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
4-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-benzene-1,2-diol
CID 135630064
2,6-Dimethoxy-4-(((4-(1-naphthylmethyl)-1-piperazinyl)imino)methyl)phenol
CID 135492293
(E)-N-(3,4-dimethoxybenzylidene)-4-(9H-fluoren-9-yl)piperazin-1-amine
CID 6887111
(E)-4-(9H-fluoren-9-yl)-N-(3,4,5-trimethoxybenzylidene)piperazin-1-amine
CID 6868113
2-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-6-methoxy-phenol
CID 135505971
4-({[4-(9H-fluoren-9-yl)-1-piperazinyl]imino}methyl)-2-methoxyphenol
CID 135501762
4-(((4-Benzyl-1-piperazinyl)imino)methyl)-2,6-dimethoxyphenol
CID 135631971
2-(((4-Benzhydryl-1-piperazinyl)imino)methyl)-6-methoxyphenol
CID 135519109
4-({[4-(9H-fluoren-9-yl)piperazin-1-yl]imino}methyl)benzene-1,3-diol
CID 1346935

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol (CID 135517091) is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol is COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1O.
What is the InChIKey of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol?
The InChIKey is OXPFORPTVXTJSC-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-23-15-18(16-24(32-2)26(23)30)17-27-29-13-11-28(12-14-29)25-21-9-5-3-7-19(21)20-8-4-6-10-22(20)25/h3-10,15-17,25,30H,11-14H2,1-2H3/b27-17+.
What are the key properties of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol?
4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol has a molecular weight of 429.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135517091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).