(5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone

C15H20FNO3 — CID 84586278

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H20FNO3/c1-2-8-20-12-4-3-7-17(10-12)15(19)13-9-11(16)5-6-14(13)18/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyADJAACMLGXTDRX-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.56
Rot. Bonds4

About (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 84586278) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID84586278
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H20FNO3/c1-2-8-20-12-4-3-7-17(10-12)15(19)13-9-11(16)5-6-14(13)18/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyADJAACMLGXTDRX-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone (CID 84586278) is (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is ADJAACMLGXTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-2-8-20-12-4-3-7-17(10-12)15(19)13-9-11(16)5-6-14(13)18/h5-6,9,12,18H,2-4,7-8,10H2,1H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 281.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 84586278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).