1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine

C21H24F2N2 — CID 138460328

IUPAC1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(/C=C/CCN2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24F2N2/c22-20-8-4-18(5-9-20)3-1-2-12-24-13-15-25(16-14-24)17-19-6-10-21(23)11-7-19/h1,3-11H,2,12-17H2/b3-1+
InChIKeyWEECYUZNENFXIM-HNQUOIGGSA-N
MW342.43 g/mol
LogP4.19
Rot. Bonds6

About 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 138460328) has the molecular formula C21H24F2N2 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID138460328
Molecular FormulaC21H24F2N2
Molecular Weight342.43 g/mol
Exact Mass342.19
IUPAC Name1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(/C=C/CCN2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24F2N2/c22-20-8-4-18(5-9-20)3-1-2-12-24-13-15-25(16-14-24)17-19-6-10-21(23)11-7-19/h1,3-11H,2,12-17H2/b3-1+
InChIKeyWEECYUZNENFXIM-HNQUOIGGSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine
CID 20736265
5-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69248140
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanenitrile
CID 51075570
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
CID 6879393
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
1-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 18546820
1-[5-(4-fluorophenyl)pent-4-enyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 69180728
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 138460328) is 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(/C=C/CCN2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is WEECYUZNENFXIM-HNQUOIGGSA-N. The full InChI is InChI=1S/C21H24F2N2/c22-20-8-4-18(5-9-20)3-1-2-12-24-13-15-25(16-14-24)17-19-6-10-21(23)11-7-19/h1,3-11H,2,12-17H2/b3-1+.
What are the key properties of 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 342.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 138460328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).