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

C18H18F3N3 — CID 141089460

IUPAC1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C(\c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)15-6-8-16(9-7-15)23-17(14-4-2-1-3-5-14)24-12-10-22-11-13-24/h1-9,22H,10-13H2/b23-17+
InChIKeyMCONYSNQQJBGHG-HAVVHWLPSA-N
MW333.36 g/mol
LogP3.69
Rot. Bonds2

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

1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 141089460) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID141089460
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/N=C(\c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)15-6-8-16(9-7-15)23-17(14-4-2-1-3-5-14)24-12-10-22-11-13-24/h1-9,22H,10-13H2/b23-17+
InChIKeyMCONYSNQQJBGHG-HAVVHWLPSA-N
XLogP3.69
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine
CID 44818351
(3E)-1,1-dimethyl-3-[phenyl(piperazin-1-yl)methylidene]urea
CID 58852088
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194
CID 101352816
CID 101352816
N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine
CID 21236535
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine
CID 46779053
2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 22435906
1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
CID 102082770

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine (CID 141089460) is 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/N=C(\c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is MCONYSNQQJBGHG-HAVVHWLPSA-N. The full InChI is InChI=1S/C18H18F3N3/c19-18(20,21)15-6-8-16(9-7-15)23-17(14-4-2-1-3-5-14)24-12-10-22-11-13-24/h1-9,22H,10-13H2/b23-17+.
What are the key properties of 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine?
1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 333.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 141089460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).