1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one

C14H18FNO3S — CID 23133568

IUPAC1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO3S/c1-11(17)10-20(18,19)16-8-6-12(7-9-16)13-4-2-3-5-14(13)15/h2-5,12H,6-10H2,1H3
InChIKeyDOTVTSHAQGRDCF-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one

1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one (PubChem CID 23133568) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one
PubChem CID23133568
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO3S/c1-11(17)10-20(18,19)16-8-6-12(7-9-16)13-4-2-3-5-14(13)15/h2-5,12H,6-10H2,1H3
InChIKeyDOTVTSHAQGRDCF-UHFFFAOYSA-N
XLogP1.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one (CID 23133568) is 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one is CC(=O)CS(=O)(=O)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one?
The InChIKey is DOTVTSHAQGRDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-11(17)10-20(18,19)16-8-6-12(7-9-16)13-4-2-3-5-14(13)15/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one?
1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperidin-1-yl]sulfonylpropan-2-one is sourced from PubChem (CID 23133568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).