1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone

C19H26FNO2 — CID 133278302

IUPAC1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C19H26FNO2/c1-14(22)19-17(20)8-5-9-18(19)21-12-10-16(11-13-21)23-15-6-3-2-4-7-15/h5,8-9,15-16H,2-4,6-7,10-13H2,1H3
InChIKeyQRYOTWUBDGWDIY-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.35
Rot. Bonds4

About 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone

1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone (PubChem CID 133278302) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
PubChem CID133278302
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C19H26FNO2/c1-14(22)19-17(20)8-5-9-18(19)21-12-10-16(11-13-21)23-15-6-3-2-4-7-15/h5,8-9,15-16H,2-4,6-7,10-13H2,1H3
InChIKeyQRYOTWUBDGWDIY-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone with MolForge

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Related Compounds

4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
CID 133278337
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanone
CID 63151021
1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone
CID 133300512
1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 99799044
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287
1-[2-fluoro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 62974493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone (CID 133278302) is 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1N1CCC(OC2CCCCC2)CC1.
What is the InChIKey of 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone?
The InChIKey is QRYOTWUBDGWDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-14(22)19-17(20)8-5-9-18(19)21-12-10-16(11-13-21)23-15-6-3-2-4-7-15/h5,8-9,15-16H,2-4,6-7,10-13H2,1H3.
What are the key properties of 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone?
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone has a molecular weight of 319.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone is sourced from PubChem (CID 133278302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).