1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

C23H29FN2O2S — CID 138627969

IUPAC1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)CC1
InChIInChI=1S/C23H29FN2O2S/c1-18-9-13-25(14-10-18)22-11-15-26(16-12-22)29(27,28)23-4-2-3-20(17-23)19-5-7-21(24)8-6-19/h2-8,17-18,22H,9-16H2,1H3
InChIKeyOSBBRLCCRKCWMX-UHFFFAOYSA-N
MW416.56 g/mol
LogP4.38
Rot. Bonds4

About 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 138627969) has the molecular formula C23H29FN2O2S and a molecular weight of 416.56 g/mol. Its IUPAC name is 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID138627969
Molecular FormulaC23H29FN2O2S
Molecular Weight416.56 g/mol
Exact Mass416.19
IUPAC Name1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)CC1
InChIInChI=1S/C23H29FN2O2S/c1-18-9-13-25(14-10-18)22-11-15-26(16-12-22)29(27,28)23-4-2-3-20(17-23)19-5-7-21(24)8-6-19/h2-8,17-18,22H,9-16H2,1H3
InChIKeyOSBBRLCCRKCWMX-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 138627969) is 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is CC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)CC1.
What is the InChIKey of 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is OSBBRLCCRKCWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2S/c1-18-9-13-25(14-10-18)22-11-15-26(16-12-22)29(27,28)23-4-2-3-20(17-23)19-5-7-21(24)8-6-19/h2-8,17-18,22H,9-16H2,1H3.
What are the key properties of 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 416.56 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138627969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).