4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine

C15H22FNO2S — CID 143388197

IUPAC4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine
SMILESCS(=O)c1ccc(OCCCC2CCNCC2)cc1F
InChIInChI=1S/C15H22FNO2S/c1-20(18)15-5-4-13(11-14(15)16)19-10-2-3-12-6-8-17-9-7-12/h4-5,11-12,17H,2-3,6-10H2,1H3
InChIKeyOUNHGNUZZCRSLT-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.72
Rot. Bonds6

About 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine

4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine (PubChem CID 143388197) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine
PubChem CID143388197
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine
SMILESCS(=O)c1ccc(OCCCC2CCNCC2)cc1F
InChIInChI=1S/C15H22FNO2S/c1-20(18)15-5-4-13(11-14(15)16)19-10-2-3-12-6-8-17-9-7-12/h4-5,11-12,17H,2-3,6-10H2,1H3
InChIKeyOUNHGNUZZCRSLT-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine?
The IUPAC name of 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine (CID 143388197) is 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine?
The canonical SMILES for 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine is CS(=O)c1ccc(OCCCC2CCNCC2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine?
The InChIKey is OUNHGNUZZCRSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-20(18)15-5-4-13(11-14(15)16)19-10-2-3-12-6-8-17-9-7-12/h4-5,11-12,17H,2-3,6-10H2,1H3.
What are the key properties of 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine?
4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine has a molecular weight of 299.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine is sourced from PubChem (CID 143388197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).