1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone

C12H15FN2O2 — CID 71307673

IUPAC1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(O)cc2F)CC1
InChIInChI=1S/C12H15FN2O2/c1-9(16)14-4-6-15(7-5-14)12-3-2-10(17)8-11(12)13/h2-3,8,17H,4-7H2,1H3
InChIKeyMYVIMEDWAJIIRY-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.20
Rot. Bonds1

About 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone

1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 71307673) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID71307673
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(O)cc2F)CC1
InChIInChI=1S/C12H15FN2O2/c1-9(16)14-4-6-15(7-5-14)12-3-2-10(17)8-11(12)13/h2-3,8,17H,4-7H2,1H3
InChIKeyMYVIMEDWAJIIRY-UHFFFAOYSA-N
XLogP1.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 55004144
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione
CID 167463235
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 143462132
4-(2-fluoro-4-methylsulfinylphenyl)piperazine-1-carboxylic acid
CID 139465495
1-[4-(3-amino-4-fluoro-2-methylphenyl)piperazin-1-yl]ethanone
CID 162439771
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
1-[4-(5-bromo-2-fluoro-4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 168514162
1-[3-fluoro-4-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 112813678
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 138106003

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone (CID 71307673) is 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(O)cc2F)CC1.
What is the InChIKey of 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is MYVIMEDWAJIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-9(16)14-4-6-15(7-5-14)12-3-2-10(17)8-11(12)13/h2-3,8,17H,4-7H2,1H3.
What are the key properties of 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone?
1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 238.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71307673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).