2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone

C13H17FN2O3 — CID 82092529

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone
SMILESCOc1ccc(F)cc1C(O)C(=O)N1CCNCC1
InChIInChI=1S/C13H17FN2O3/c1-19-11-3-2-9(14)8-10(11)12(17)13(18)16-6-4-15-5-7-16/h2-3,8,12,15,17H,4-7H2,1H3
InChIKeyVSINKACGAZZPCS-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.30
Rot. Bonds3

About 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone

2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone (PubChem CID 82092529) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone
PubChem CID82092529
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone
SMILESCOc1ccc(F)cc1C(O)C(=O)N1CCNCC1
InChIInChI=1S/C13H17FN2O3/c1-19-11-3-2-9(14)8-10(11)12(17)13(18)16-6-4-15-5-7-16/h2-3,8,12,15,17H,4-7H2,1H3
InChIKeyVSINKACGAZZPCS-UHFFFAOYSA-N
XLogP0.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954788
(3R)-2,2-difluoro-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179616
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171164790
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 4202298
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201
2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82134931
(3R)-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306811

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone (CID 82092529) is 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone is COc1ccc(F)cc1C(O)C(=O)N1CCNCC1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone?
The InChIKey is VSINKACGAZZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-19-11-3-2-9(14)8-10(11)12(17)13(18)16-6-4-15-5-7-16/h2-3,8,12,15,17H,4-7H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone?
2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone has a molecular weight of 268.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone is sourced from PubChem (CID 82092529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).