(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine

C23H22F3N3 — CID 5347873

IUPAC(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H22F3N3/c24-23(25,26)21-10-8-18(9-11-21)16-27-29-14-12-28(13-15-29)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/b27-16+
InChIKeyOKGKQJOOJQIORW-JVWAILMASA-N
MW397.44 g/mol
LogP5.01
Rot. Bonds4

About (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine

(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 5347873) has the molecular formula C23H22F3N3 and a molecular weight of 397.44 g/mol. Its IUPAC name is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID5347873
Molecular FormulaC23H22F3N3
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H22F3N3/c24-23(25,26)21-10-8-18(9-11-21)16-27-29-14-12-28(13-15-29)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/b27-16+
InChIKeyOKGKQJOOJQIORW-JVWAILMASA-N
XLogP5.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 55.01
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)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 5347873) is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is OKGKQJOOJQIORW-JVWAILMASA-N. The full InChI is InChI=1S/C23H22F3N3/c24-23(25,26)21-10-8-18(9-11-21)16-27-29-14-12-28(13-15-29)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/b27-16+.
What are the key properties of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 397.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 5347873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).