2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol

C22H27FN2O — CID 54252041

IUPAC2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol
SMILESCC(=CCN1CCN(CCO)CC1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O/c1-18(10-11-24-12-14-25(15-13-24)16-17-26)19-2-4-20(5-3-19)21-6-8-22(23)9-7-21/h2-10,26H,11-17H2,1H3
InChIKeyQXLKPHCFICNAPW-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.51
Rot. Bonds6

About 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol

2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol (PubChem CID 54252041) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol
PubChem CID54252041
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol
SMILESCC(=CCN1CCN(CCO)CC1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O/c1-18(10-11-24-12-14-25(15-13-24)16-17-26)19-2-4-20(5-3-19)21-6-8-22(23)9-7-21/h2-10,26H,11-17H2,1H3
InChIKeyQXLKPHCFICNAPW-UHFFFAOYSA-N
XLogP3.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
1-methyl-4-(3-phenylbut-2-enyl)piperazine
CID 76612314
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine
CID 54253677
3-(4-fluorophenyl)-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]but-2-en-1-one
CID 72687189
1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]-4-prop-2-enylpiperazine
CID 19844626
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633
2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione
CID 54297598
3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544529
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine
CID 54361762

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol (CID 54252041) is 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol is CC(=CCN1CCN(CCO)CC1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol?
The InChIKey is QXLKPHCFICNAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-18(10-11-24-12-14-25(15-13-24)16-17-26)19-2-4-20(5-3-19)21-6-8-22(23)9-7-21/h2-10,26H,11-17H2,1H3.
What are the key properties of 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol?
2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol has a molecular weight of 354.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 54252041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).