4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine

C16H24FNO2S — CID 18342645

IUPAC4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO2S/c1-13(2)18-10-7-14(8-11-18)9-12-21(19,20)16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyWPFWYXBDLMLKCR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.11
Rot. Bonds5

About 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine

4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine (PubChem CID 18342645) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine
PubChem CID18342645
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC Name4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO2S/c1-13(2)18-10-7-14(8-11-18)9-12-21(19,20)16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyWPFWYXBDLMLKCR-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ordopidine
CID 11701939
1-(2,4-Difluorophenethyl)-4-(phenylsulfonyl)piperidine
CID 9885465
1-(2,4-Difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine
CID 10861900
Seridopidine
CID 11572784
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
1-[2-(Benzenesulfonyl)ethyl]-3-methylpiperidine
CID 2818768
1-[4-(Benzenesulfonyl)-4-methylpentyl]-3-(trifluoromethyl)piperidine
CID 21048822
1-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627871
1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenylsulfanylmethyl)-piperidine
CID 15147193
1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-benzenesulfinylmethyl)-piperidine
CID 15147197
1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-benzenesulfonylmethyl)-piperidine
CID 15147198
1-[3-[1-(Benzenesulfonyl)cyclobutyl]propyl]-4-methylpiperidine
CID 44408987

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine (CID 18342645) is 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine is CC(C)N1CCC(CCS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine?
The InChIKey is WPFWYXBDLMLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-13(2)18-10-7-14(8-11-18)9-12-21(19,20)16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine?
4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine has a molecular weight of 313.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfonylethyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 18342645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).