4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine

C15H22FNO2S — CID 174897155

IUPAC4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2S/c1-12(2)11-17-9-7-15(8-10-17)20(18,19)14-5-3-13(16)4-6-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyOFCXYMDUIYTRKB-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.72
Rot. Bonds4

About 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine

4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine (PubChem CID 174897155) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine
PubChem CID174897155
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2S/c1-12(2)11-17-9-7-15(8-10-17)20(18,19)14-5-3-13(16)4-6-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyOFCXYMDUIYTRKB-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine;hydrochloride
CID 141037006
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
CID 90589548
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
2-ethyl-1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 145184231
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870
4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520
N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
CID 42858072
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine (CID 174897155) is 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine is CC(C)CN1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine?
The InChIKey is OFCXYMDUIYTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-12(2)11-17-9-7-15(8-10-17)20(18,19)14-5-3-13(16)4-6-14/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine?
4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine has a molecular weight of 299.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 174897155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).