1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C21H23F3N2 — CID 1067952

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23F3N2/c22-21(23,24)20-10-8-19(9-11-20)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/b7-4+
InChIKeyNKDSUWQPWJBWQU-QPJJXVBHSA-N
MW360.42 g/mol
LogP4.54
Rot. Bonds5

About 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 1067952) has the molecular formula C21H23F3N2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID1067952
Molecular FormulaC21H23F3N2
Molecular Weight360.42 g/mol
Exact Mass360.18
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23F3N2/c22-21(23,24)20-10-8-19(9-11-20)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/b7-4+
InChIKeyNKDSUWQPWJBWQU-QPJJXVBHSA-N
XLogP4.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
oxalic acid;4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
CID 163327121
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
1-[(E)-3-phenylprop-2-enyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 44768199
1-[(3-bromo-4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1069664
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327107
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 1067952) is 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is NKDSUWQPWJBWQU-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H23F3N2/c22-21(23,24)20-10-8-19(9-11-20)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 360.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 1067952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).