(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine

C24H22BrN3 — CID 5350855

IUPAC(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
SMILESBrc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C24H22BrN3/c25-19-7-5-6-18(16-19)17-26-28-14-12-27(13-15-28)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16-17,24H,12-15H2/b26-17+
InChIKeyWCKHDOFNDAMKOH-YZSQISJMSA-N
MW432.37 g/mol
LogP5.17
Rot. Bonds3

About (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine

(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine (PubChem CID 5350855) has the molecular formula C24H22BrN3 and a molecular weight of 432.37 g/mol. Its IUPAC name is (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
PubChem CID5350855
Molecular FormulaC24H22BrN3
Molecular Weight432.37 g/mol
Exact Mass431.10
IUPAC Name(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
SMILESBrc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1
InChIInChI=1S/C24H22BrN3/c25-19-7-5-6-18(16-19)17-26-28-14-12-27(13-15-28)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16-17,24H,12-15H2/b26-17+
InChIKeyWCKHDOFNDAMKOH-YZSQISJMSA-N
XLogP5.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine (CID 5350855) is (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is Brc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1.
What is the InChIKey of (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The InChIKey is WCKHDOFNDAMKOH-YZSQISJMSA-N. The full InChI is InChI=1S/C24H22BrN3/c25-19-7-5-6-18(16-19)17-26-28-14-12-27(13-15-28)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16-17,24H,12-15H2/b26-17+.
What are the key properties of (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine has a molecular weight of 432.37 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5350855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).