1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone

C17H18FNOS — CID 155930979

IUPAC1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone
SMILESO=C(C[C@H]1CCC[C@H](c2cccs2)N1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNOS/c18-13-8-6-12(7-9-13)16(20)11-14-3-1-4-15(19-14)17-5-2-10-21-17/h2,5-10,14-15,19H,1,3-4,11H2/t14-,15-/m1/s1
InChIKeyQTKXLVGGTKZUPX-HUUCEWRRSA-N
MW303.40 g/mol
LogP4.34
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone (PubChem CID 155930979) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone
PubChem CID155930979
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone
SMILESO=C(C[C@H]1CCC[C@H](c2cccs2)N1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNOS/c18-13-8-6-12(7-9-13)16(20)11-14-3-1-4-15(19-14)17-5-2-10-21-17/h2,5-10,14-15,19H,1,3-4,11H2/t14-,15-/m1/s1
InChIKeyQTKXLVGGTKZUPX-HUUCEWRRSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone (CID 155930979) is 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone is O=C(C[C@H]1CCC[C@H](c2cccs2)N1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone?
The InChIKey is QTKXLVGGTKZUPX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18FNOS/c18-13-8-6-12(7-9-13)16(20)11-14-3-1-4-15(19-14)17-5-2-10-21-17/h2,5-10,14-15,19H,1,3-4,11H2/t14-,15-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone has a molecular weight of 303.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone is sourced from PubChem (CID 155930979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).