2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine

C19H22FNO2S — CID 56904080

IUPAC2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCS(=O)(=O)c1ccc(CN2CCCCC2c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2S/c1-24(22,23)18-10-8-15(9-11-18)14-21-12-3-2-7-19(21)16-5-4-6-17(20)13-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3
InChIKeyMJQFMDPOQUUPOW-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine

2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine (PubChem CID 56904080) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
PubChem CID56904080
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
SMILESCS(=O)(=O)c1ccc(CN2CCCCC2c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2S/c1-24(22,23)18-10-8-15(9-11-18)14-21-12-3-2-7-19(21)16-5-4-6-17(20)13-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3
InChIKeyMJQFMDPOQUUPOW-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The IUPAC name of 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine (CID 56904080) is 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine is CS(=O)(=O)c1ccc(CN2CCCCC2c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
The InChIKey is MJQFMDPOQUUPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-24(22,23)18-10-8-15(9-11-18)14-21-12-3-2-7-19(21)16-5-4-6-17(20)13-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine?
2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine has a molecular weight of 347.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]piperidine is sourced from PubChem (CID 56904080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).