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

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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).