N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine

C19H20F3N3 — CID 781464

IUPACN-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1C=NN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20F3N3/c20-19(21,22)18-9-5-4-8-17(18)14-23-25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyUKFXNEPDUKJVAV-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.86
Rot. Bonds4

About N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine

N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 781464) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID781464
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1C=NN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20F3N3/c20-19(21,22)18-9-5-4-8-17(18)14-23-25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyUKFXNEPDUKJVAV-UHFFFAOYSA-N
XLogP3.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.86
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 N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine (CID 781464) is N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccccc1C=NN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is UKFXNEPDUKJVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3/c20-19(21,22)18-9-5-4-8-17(18)14-23-25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2.
What are the key properties of N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine?
N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 347.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 781464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).