(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine

C18H18F3N3 — CID 5347654

IUPAC(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)16-8-6-15(7-9-16)14-22-24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-9,14H,10-13H2/b22-14+
InChIKeyPZZWGJVXCZRKFR-HYARGMPZSA-N
MW333.36 g/mol
LogP3.86
Rot. Bonds3

About (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine

(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 5347654) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID5347654
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)16-8-6-15(7-9-16)14-22-24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-9,14H,10-13H2/b22-14+
InChIKeyPZZWGJVXCZRKFR-HYARGMPZSA-N
XLogP3.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
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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Related Compounds

N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 2143797
N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
CID 761163
(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
CID 6879060
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 727330
N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 175162135
N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 795095
2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
CID 135576721
N-(4-phenylpiperazin-1-yl)methanimine
CID 66881975
1-phenyl-4-[(Z)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperazine
CID 139186104
1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 727396
1-fluoro-4-phenylpiperazine
CID 23450926

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine (CID 5347654) is (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is PZZWGJVXCZRKFR-HYARGMPZSA-N. The full InChI is InChI=1S/C18H18F3N3/c19-18(20,21)16-8-6-15(7-9-16)14-22-24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-9,14H,10-13H2/b22-14+.
What are the key properties of (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 333.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 5347654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).