1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C18H19FN2O3 — CID 7162004

IUPAC1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C18H19FN2O3/c19-13-1-3-14(4-2-13)21-9-7-20(8-10-21)12-18(24)16-6-5-15(22)11-17(16)23/h1-6,11,22-23H,7-10,12H2
InChIKeyFNXHVYLDAVUDRW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.24
Rot. Bonds4

About 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 7162004) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID7162004
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C18H19FN2O3/c19-13-1-3-14(4-2-13)21-9-7-20(8-10-21)12-18(24)16-6-5-15(22)11-17(16)23/h1-6,11,22-23H,7-10,12H2
InChIKeyFNXHVYLDAVUDRW-UHFFFAOYSA-N
XLogP2.24
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methanone, (2,4-dihydroxyphenyl)[4-(dimethylamino)phenyl]-
CID 825840
1-(2,4-Dihydroxy-3-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 7162002
(2E)-1-(2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 5815007
(2,4-dihydroxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117967655
(2,4-dihydroxyphenyl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967696
(2,4-dihydroxyphenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117968039
N-benzyl-2,4-dihydroxy-N-phenylbenzamide
CID 117972616
1-(3,4-Dihydroxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 4122157
1-(2-Hydroxy-phenyl)-6-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-hexan-1-one
CID 10971846
1-(2-Hydroxy-phenyl)-6-(4-phenyl-piperazin-1-yl)-hexan-1-one
CID 11142729
N-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide
CID 151835909
1-(4-Hydroxyphenyl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 155537441

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 7162004) is 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is FNXHVYLDAVUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-1-3-14(4-2-13)21-9-7-20(8-10-21)12-18(24)16-6-5-15(22)11-17(16)23/h1-6,11,22-23H,7-10,12H2.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 330.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 7162004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).