3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol

C24H23N3O — CID 1039259

IUPAC3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol
SMILESOc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C24H23N3O/c28-19-7-5-6-18(16-19)17-25-27-14-12-26(13-15-27)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16-17,24,28H,12-15H2
InChIKeyCEZSIEYRNYQISC-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.11
Rot. Bonds3

About 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol

3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol (PubChem CID 1039259) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol
PubChem CID1039259
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol
SMILESOc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C24H23N3O/c28-19-7-5-6-18(16-19)17-25-27-14-12-26(13-15-27)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16-17,24,28H,12-15H2
InChIKeyCEZSIEYRNYQISC-UHFFFAOYSA-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_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 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol (CID 1039259) is 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol is Oc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1.
What is the InChIKey of 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
The InChIKey is CEZSIEYRNYQISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-19-7-5-6-18(16-19)17-25-27-14-12-26(13-15-27)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16-17,24,28H,12-15H2.
What are the key properties of 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol?
3-[[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 3-[[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 1039259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).