1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid

C19H27FN2O6S — CID 2912389

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25FN2O2S.C2H2O4/c1-14-6-10-19(11-7-14)16-8-12-20(13-9-16)23(21,22)17-4-2-15(18)3-5-17;3-1(4)2(5)6/h2-5,14,16H,6-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyWQDMEEDGWGIHOG-UHFFFAOYSA-N
MW430.50 g/mol
LogP1.87
Rot. Bonds3

About 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid

1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid (PubChem CID 2912389) has the molecular formula C19H27FN2O6S and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid
PubChem CID2912389
Molecular FormulaC19H27FN2O6S
Molecular Weight430.50 g/mol
Exact Mass430.16
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25FN2O2S.C2H2O4/c1-14-6-10-19(11-7-14)16-8-12-20(13-9-16)23(21,22)17-4-2-15(18)3-5-17;3-1(4)2(5)6/h2-5,14,16H,6-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyWQDMEEDGWGIHOG-UHFFFAOYSA-N
XLogP1.87
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627871
1-Bicyclo[2.2.1]hept-5-en-2-ylmethyl-4-(4-fluoro-benzenesulfonyl)-piperazine
CID 2902280
1-{1-[(4-Fluorophenyl)sulfonyl]-4-piperidinyl}azepane oxalate
CID 2911963
1-[(4-Fluorophenyl)sulfonyl]-4-pyrrolidin-1-ylpiperidine
CID 2913199
1-[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 2911262
1-Benzenesulfonyl-4-(3-methyl-cyclohexyl)-piperazine
CID 2881352
4-{1-[(4-Fluorophenyl)sulfonyl]-4-piperidinyl}-2,6-dimethylmorpholine oxalate
CID 2911606
1-[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 1120942
1-[1-(Benzenesulfonyl)piperidin-4-yl]-4-methylpiperazine;oxalic acid
CID 2911542
1-(Benzenesulfonyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366153
1-Cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
CID 44828285
1-(4-Fluorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
CID 90483247

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid (CID 2912389) is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid is CC1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid?
The InChIKey is WQDMEEDGWGIHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S.C2H2O4/c1-14-6-10-19(11-7-14)16-8-12-20(13-9-16)23(21,22)17-4-2-15(18)3-5-17;3-1(4)2(5)6/h2-5,14,16H,6-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid?
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid has a molecular weight of 430.50 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine;oxalic acid is sourced from PubChem (CID 2912389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).