(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine

C24H21BrFN3 — CID 6886630

IUPAC(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
SMILESFc1ccc(Br)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H21BrFN3/c25-18-9-10-23(26)17(15-18)16-27-29-13-11-28(12-14-29)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24H,11-14H2/b27-16+
InChIKeyDITPDGOIJKKCJS-JVWAILMASA-N
MW450.36 g/mol
LogP5.31
Rot. Bonds3

About (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine

(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine (PubChem CID 6886630) has the molecular formula C24H21BrFN3 and a molecular weight of 450.36 g/mol. Its IUPAC name is (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
PubChem CID6886630
Molecular FormulaC24H21BrFN3
Molecular Weight450.36 g/mol
Exact Mass449.09
IUPAC Name(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
SMILESFc1ccc(Br)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H21BrFN3/c25-18-9-10-23(26)17(15-18)16-27-29-13-11-28(12-14-29)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24H,11-14H2/b27-16+
InChIKeyDITPDGOIJKKCJS-JVWAILMASA-N
XLogP5.31
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.36
LogP ≤ 55.31
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-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine (CID 6886630) is (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is Fc1ccc(Br)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The InChIKey is DITPDGOIJKKCJS-JVWAILMASA-N. The full InChI is InChI=1S/C24H21BrFN3/c25-18-9-10-23(26)17(15-18)16-27-29-13-11-28(12-14-29)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-10,15-16,24H,11-14H2/b27-16+.
What are the key properties of (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine has a molecular weight of 450.36 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6886630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).