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

C19H27FN2O7S — CID 2911606

IUPAC4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C17H25FN2O3S.C2H2O4/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;3-1(4)2(5)6/h3-6,13-14,16H,7-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCAQMAPBXQIMRLX-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.24
Rot. Bonds3

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

4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2911606) has the molecular formula C19H27FN2O7S and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2911606
Molecular FormulaC19H27FN2O7S
Molecular Weight446.50 g/mol
Exact Mass446.15
IUPAC Name4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
SMILESCC1CN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C17H25FN2O3S.C2H2O4/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;3-1(4)2(5)6/h3-6,13-14,16H,7-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCAQMAPBXQIMRLX-UHFFFAOYSA-N
XLogP1.24
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid (CID 2911606) is 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid is CC1CN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is CAQMAPBXQIMRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S.C2H2O4/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;3-1(4)2(5)6/h3-6,13-14,16H,7-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid?
4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 446.50 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2911606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).