4-[(4-fluorophenyl)methylsulfonyl]piperidine

C12H16FNO2S — CID 67599934

IUPAC4-[(4-fluorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C12H16FNO2S/c13-11-3-1-10(2-4-11)9-17(15,16)12-5-7-14-8-6-12/h1-4,12,14H,5-9H2
InChIKeyINNUGZQUROAMBP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.49
Rot. Bonds3

About 4-[(4-fluorophenyl)methylsulfonyl]piperidine

4-[(4-fluorophenyl)methylsulfonyl]piperidine (PubChem CID 67599934) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfonyl]piperidine
PubChem CID67599934
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-[(4-fluorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C12H16FNO2S/c13-11-3-1-10(2-4-11)9-17(15,16)12-5-7-14-8-6-12/h1-4,12,14H,5-9H2
InChIKeyINNUGZQUROAMBP-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(R)-N-(2-((3-Fluorobenzyl)sulfonyl)ethyl)butan-2-amine
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1-{2-[(3-Fluorobenzyl)sulfonyl]ethyl}pyrrolidine
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1-[2-[(4-Fluorophenyl)methylsulfonyl]ethyl]pyrrolidine
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CID 415163
3-[(2-fluorobenzyl)sulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]piperidine (CID 67599934) is 4-[(4-fluorophenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfonyl]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfonyl]piperidine is O=S(=O)(Cc1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfonyl]piperidine?
The InChIKey is INNUGZQUROAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c13-11-3-1-10(2-4-11)9-17(15,16)12-5-7-14-8-6-12/h1-4,12,14H,5-9H2.
What are the key properties of 4-[(4-fluorophenyl)methylsulfonyl]piperidine?
4-[(4-fluorophenyl)methylsulfonyl]piperidine has a molecular weight of 257.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 67599934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).