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

C23H22F3N3 — CID 2143797

IUPACN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C=NN2CCN(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
InChIKeyOKGKQJOOJQIORW-UHFFFAOYSA-N
MW397.44 g/mol
LogP5.01
Rot. Bonds4

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

N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 2143797) has the molecular formula C23H22F3N3 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID2143797
Molecular FormulaC23H22F3N3
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(C=NN2CCN(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
InChIKeyOKGKQJOOJQIORW-UHFFFAOYSA-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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Related Compounds

(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine
CID 6869593
4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]benzoic acid
CID 1368833
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6891657
1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1368428
(E)-1-(4-tert-butylphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 5342732
(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 5347654
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 2870743
(E,E)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6899949
(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 5414843
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
CID 6886763

Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 2143797) is N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(C=NN2CCN(Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is OKGKQJOOJQIORW-UHFFFAOYSA-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.
What are the key properties of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine?
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 N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 2143797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).