4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol

C24H23N3O — CID 135505981

IUPAC4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol
SMILESOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C24H23N3O/c28-19-11-9-18(10-12-19)17-25-27-15-13-26(14-16-27)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17,24,28H,13-16H2/b25-17+
InChIKeyBFZLXIJBXOGTLL-KOEQRZSOSA-N
MW369.47 g/mol
LogP4.11
Rot. Bonds3

About 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol

4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 135505981) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol
PubChem CID135505981
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol
SMILESOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C24H23N3O/c28-19-11-9-18(10-12-19)17-25-27-15-13-26(14-16-27)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17,24,28H,13-16H2/b25-17+
InChIKeyBFZLXIJBXOGTLL-KOEQRZSOSA-N
XLogP4.11
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol (CID 135505981) is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol is Oc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1.
What is the InChIKey of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is BFZLXIJBXOGTLL-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H23N3O/c28-19-11-9-18(10-12-19)17-25-27-15-13-26(14-16-27)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17,24,28H,13-16H2/b25-17+.
What are the key properties of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol has a molecular weight of 369.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135505981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).