1-ethylsulfonyl-4-(2-fluorophenyl)piperidine

C13H18FNO2S — CID 16671842

IUPAC1-ethylsulfonyl-4-(2-fluorophenyl)piperidine
SMILESCCS(=O)(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C13H18FNO2S/c1-2-18(16,17)15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3-6,11H,2,7-10H2,1H3
InChIKeyDUMKBAYUOWYZMP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.35
Rot. Bonds3

About 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine

1-ethylsulfonyl-4-(2-fluorophenyl)piperidine (PubChem CID 16671842) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(2-fluorophenyl)piperidine
PubChem CID16671842
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name1-ethylsulfonyl-4-(2-fluorophenyl)piperidine
SMILESCCS(=O)(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C13H18FNO2S/c1-2-18(16,17)15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3-6,11H,2,7-10H2,1H3
InChIKeyDUMKBAYUOWYZMP-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(4-Tert-butylphenyl)sulfonyl]piperidine
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CID 10092584
4-Benzyl-1-(benzylsulfonyl)piperidine
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4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
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1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine?
The IUPAC name of 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine (CID 16671842) is 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine?
The canonical SMILES for 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine is CCS(=O)(=O)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine?
The InChIKey is DUMKBAYUOWYZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-18(16,17)15-9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine?
1-ethylsulfonyl-4-(2-fluorophenyl)piperidine has a molecular weight of 271.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(2-fluorophenyl)piperidine is sourced from PubChem (CID 16671842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).