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

C20H22F3N3 — CID 5347684

IUPAC(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCc1ccc(CN2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F3N3/c1-16-2-4-18(5-3-16)15-25-10-12-26(13-11-25)24-14-17-6-8-19(9-7-17)20(21,22)23/h2-9,14H,10-13,15H2,1H3/b24-14+
InChIKeyQPOWVFQWONVQKZ-ZVHZXABRSA-N
MW361.41 g/mol
LogP4.17
Rot. Bonds4

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

(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 5347684) has the molecular formula C20H22F3N3 and a molecular weight of 361.41 g/mol. Its IUPAC name is (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID5347684
Molecular FormulaC20H22F3N3
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCc1ccc(CN2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F3N3/c1-16-2-4-18(5-3-16)15-25-10-12-26(13-11-25)24-14-17-6-8-19(9-7-17)20(21,22)23/h2-9,14H,10-13,15H2,1H3/b24-14+
InChIKeyQPOWVFQWONVQKZ-ZVHZXABRSA-N
XLogP4.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.17
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

(4-Benzyl-piperazin-1-yl)-(4-fluoro-benzylidene)-amine
CID 5342960
N-(5-Bromo-2-fluorobenzylidene)-4-(4-methylbenzyl)-1-piperazinamine
CID 6900545
N-Benzylidene-4-(4-methylbenzyl)-1-piperazinamine
CID 5726756
4-Benzyl-N-((1,1'-biphenyl)-4-ylmethylene)-1-piperazinamine
CID 6879938
4-benzyl-N-[(E)-phenylmethylidene]-1-piperazinamine
CID 5343041
(4-Naphthalen-1-ylmethyl-piperazin-1-yl)-(4-trifluoromethyl-benzylidene)-amine
CID 5347873
(E)-[(E)-2-bromo-3-phenyl-prop-2-enylidene]-[4-(4-methylbenzyl)piperazino]amine
CID 6878336
(E)-4-(2,4-dimethylbenzyl)-N-(4-(trifluoromethyl)benzylidene)piperazin-1-amine
CID 6893934
4-Benzyl-N-(3-phenyl-2-propenylidene)-1-piperazinamine
CID 5342860
4-benzyl-N-(4-methylbenzylidene)-1-piperazinamine
CID 5343053
4-(4-methylbenzyl)-N-[(1Z,2E)-2-methyl-3-phenylprop-2-enylidene]piperazin-1-amine
CID 5392053
N-[(1Z,2Z)-2-bromo-3-phenylprop-2-enylidene]-4-(4-methylbenzyl)piperazin-1-amine
CID 5588066

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 5347684) is (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is Cc1ccc(CN2CCN(/N=C/c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is QPOWVFQWONVQKZ-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H22F3N3/c1-16-2-4-18(5-3-16)15-25-10-12-26(13-11-25)24-14-17-6-8-19(9-7-17)20(21,22)23/h2-9,14H,10-13,15H2,1H3/b24-14+.
What are the key properties of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 361.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 5347684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).