[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone

C32H27F3N2O — CID 163662907

IUPAC[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C/C1=C\c1ccccc1
InChIInChI=1S/C32H27F3N2O/c33-32(34,35)30-14-8-7-13-29(30)26-17-15-25(16-18-26)22-36-19-20-37(31(38)27-11-5-2-6-12-27)28(23-36)21-24-9-3-1-4-10-24/h1-18,21H,19-20,22-23H2/b28-21+
InChIKeyIVXIYLZQVISYAZ-SGWCAAJKSA-N
MW512.58 g/mol
LogP7.37
Rot. Bonds5

About [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone

[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 163662907) has the molecular formula C32H27F3N2O and a molecular weight of 512.58 g/mol. Its IUPAC name is [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
PubChem CID163662907
Molecular FormulaC32H27F3N2O
Molecular Weight512.58 g/mol
Exact Mass512.21
IUPAC Name[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C/C1=C\c1ccccc1
InChIInChI=1S/C32H27F3N2O/c33-32(34,35)30-14-8-7-13-29(30)26-17-15-25(16-18-26)22-36-19-20-37(31(38)27-11-5-2-6-12-27)28(23-36)21-24-9-3-1-4-10-24/h1-18,21H,19-20,22-23H2/b28-21+
InChIKeyIVXIYLZQVISYAZ-SGWCAAJKSA-N
XLogP7.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone with MolForge

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Related Compounds

(3R)-3-benzyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;[(2R)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
CID 160679268
N,N-diethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide
CID 69150558
2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide
CID 69057203
2-[(2S)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-2-phenylacetaldehyde
CID 87707703
1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
CID 126476503
N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 159313660
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6146827
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide
CID 59840242
1-[4-[[2-hydroxy-4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 121245273
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 22265251
1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 158531265
[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol
CID 172868767

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone (CID 163662907) is [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C/C1=C\c1ccccc1.
What is the InChIKey of [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is IVXIYLZQVISYAZ-SGWCAAJKSA-N. The full InChI is InChI=1S/C32H27F3N2O/c33-32(34,35)30-14-8-7-13-29(30)26-17-15-25(16-18-26)22-36-19-20-37(31(38)27-11-5-2-6-12-27)28(23-36)21-24-9-3-1-4-10-24/h1-18,21H,19-20,22-23H2/b28-21+.
What are the key properties of [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone?
[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 512.58 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 163662907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).