4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine

C17H25FN2O3S — CID 2911607

IUPAC4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1
InChIInChI=1S/C17H25FN2O3S/c1-13-11-19(12-14(2)23-13)16-7-9-20(10-8-16)24(21,22)17-5-3-15(18)4-6-17/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyURCRSGKUQCJDHE-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.09
Rot. Bonds3

About 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine

4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 2911607) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID2911607
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1
InChIInChI=1S/C17H25FN2O3S/c1-13-11-19(12-14(2)23-13)16-7-9-20(10-8-16)24(21,22)17-5-3-15(18)4-6-17/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyURCRSGKUQCJDHE-UHFFFAOYSA-N
XLogP2.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine (CID 2911607) is 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine is CC1CN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1.
What is the InChIKey of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is URCRSGKUQCJDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-13-11-19(12-14(2)23-13)16-7-9-20(10-8-16)24(21,22)17-5-3-15(18)4-6-17/h3-6,13-14,16H,7-12H2,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 356.46 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2911607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).