1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone

C14H18FNO — CID 775594

IUPAC1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(F)c(N2CCCCC2)cc1C
InChIInChI=1S/C14H18FNO/c1-10-8-14(16-6-4-3-5-7-16)13(15)9-12(10)11(2)17/h8-9H,3-7H2,1-2H3
InChIKeyGDIPTCOEEMEFPJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.33
Rot. Bonds2

About 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone

1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone (PubChem CID 775594) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
PubChem CID775594
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(F)c(N2CCCCC2)cc1C
InChIInChI=1S/C14H18FNO/c1-10-8-14(16-6-4-3-5-7-16)13(15)9-12(10)11(2)17/h8-9H,3-7H2,1-2H3
InChIKeyGDIPTCOEEMEFPJ-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
CID 822330
1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1037110
1-[4-(azepan-1-yl)-2-(ethylamino)-5-fluorophenyl]ethanone
CID 178026604
1-[5-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1152757
1-[5-fluoro-4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 2871886
3-[4-(4-acetyl-2-fluoro-5-methylphenyl)piperazin-1-ium-1-yl]propanenitrile
CID 2266591
1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]ethanone
CID 5207021
1-[5-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 975790
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
2-chloro-4,5-difluoro-N'-[1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethenyl]benzohydrazide
CID 5075268
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone (CID 775594) is 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone is CC(=O)c1cc(F)c(N2CCCCC2)cc1C.
What is the InChIKey of 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone?
The InChIKey is GDIPTCOEEMEFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-8-14(16-6-4-3-5-7-16)13(15)9-12(10)11(2)17/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone?
1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone is sourced from PubChem (CID 775594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).