4-(4-methylsulfinylphenyl)piperidine

C12H17NOS — CID 22622472

IUPAC4-(4-methylsulfinylphenyl)piperidine
SMILESCS(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H17NOS/c1-15(14)12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyWJGBOLJHUKMNLC-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.89
Rot. Bonds2

About 4-(4-methylsulfinylphenyl)piperidine

4-(4-methylsulfinylphenyl)piperidine (PubChem CID 22622472) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(4-methylsulfinylphenyl)piperidine.

Molecular Properties

Compound Name4-(4-methylsulfinylphenyl)piperidine
PubChem CID22622472
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-(4-methylsulfinylphenyl)piperidine
SMILESCS(=O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H17NOS/c1-15(14)12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyWJGBOLJHUKMNLC-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfinylphenyl)piperidine?
The IUPAC name of 4-(4-methylsulfinylphenyl)piperidine (CID 22622472) is 4-(4-methylsulfinylphenyl)piperidine.
What is the SMILES notation for 4-(4-methylsulfinylphenyl)piperidine?
The canonical SMILES for 4-(4-methylsulfinylphenyl)piperidine is CS(=O)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-(4-methylsulfinylphenyl)piperidine?
The InChIKey is WJGBOLJHUKMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-15(14)12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of 4-(4-methylsulfinylphenyl)piperidine?
4-(4-methylsulfinylphenyl)piperidine has a molecular weight of 223.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfinylphenyl)piperidine is sourced from PubChem (CID 22622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).