4-(2-fluorophenyl)-1-methylsulfonylpiperidine

C12H16FNO2S — CID 95833456

IUPAC4-(2-fluorophenyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)14-8-6-10(7-9-14)11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyYXKDPONOWAQRRC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.96
Rot. Bonds2

About 4-(2-fluorophenyl)-1-methylsulfonylpiperidine

4-(2-fluorophenyl)-1-methylsulfonylpiperidine (PubChem CID 95833456) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-methylsulfonylpiperidine
PubChem CID95833456
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-(2-fluorophenyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(c2ccccc2F)CC1
InChIInChI=1S/C12H16FNO2S/c1-17(15,16)14-8-6-10(7-9-14)11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyYXKDPONOWAQRRC-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ordopidine
CID 11701939
1-Phenylmethanesulfonyl-piperidine
CID 273955
Seridopidine
CID 11572784
4-Methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 801435
3-(3-fluorophenyl)-N-n-propylpiperidine
CID 128974
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
CID 2475510
4-(2,4-Difluorophenethyl)-1-(2-fluorophenylsulfonyl)piperidine
CID 44411864
4-(2,4-Difluorophenethyl)-1-(4-fluorophenylsulfonyl)piperidine
CID 44411933
4-(2,4-Difluorophenethyl)-1-(3-fluorophenylsulfonyl)piperidine
CID 44411934
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
4-Benzyl-1-[(3-methylphenyl)methylsulfonyl]piperidine
CID 71699219

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(2-fluorophenyl)-1-methylsulfonylpiperidine (CID 95833456) is 4-(2-fluorophenyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(2-fluorophenyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(2-fluorophenyl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-methylsulfonylpiperidine?
The InChIKey is YXKDPONOWAQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-17(15,16)14-8-6-10(7-9-14)11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-1-methylsulfonylpiperidine?
4-(2-fluorophenyl)-1-methylsulfonylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 95833456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).