1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone

C14H18FNO2 — CID 43216546

IUPAC1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
SMILESCOC1CCN(c2ccc(F)cc2C(C)=O)CC1
InChIInChI=1S/C14H18FNO2/c1-10(17)13-9-11(15)3-4-14(13)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyKGCOIUAAVFSMNA-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds3

About 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone

1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone (PubChem CID 43216546) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
PubChem CID43216546
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
SMILESCOC1CCN(c2ccc(F)cc2C(C)=O)CC1
InChIInChI=1S/C14H18FNO2/c1-10(17)13-9-11(15)3-4-14(13)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyKGCOIUAAVFSMNA-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
CID 61226990
1-[5-fluoro-2-(4-methylsulfanylazepan-1-yl)phenyl]ethanone
CID 114237162
1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 54976767
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]ethanone
CID 43581566
(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365
1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 62132108
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
1-[2-(3-methoxypyrrolidin-1-yl)-5-nitrophenyl]ethanone
CID 103534380
1-[5-fluoro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanone
CID 81200280
2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
CID 63902966

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone (CID 43216546) is 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone is COC1CCN(c2ccc(F)cc2C(C)=O)CC1.
What is the InChIKey of 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone?
The InChIKey is KGCOIUAAVFSMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(17)13-9-11(15)3-4-14(13)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone?
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 43216546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).