1-methylsulfonylpiperidine;2-piperazin-1-ylphenol

C16H27N3O3S — CID 142156439

IUPAC1-methylsulfonylpiperidine;2-piperazin-1-ylphenol
SMILESCS(=O)(=O)N1CCCCC1.Oc1ccccc1N1CCNCC1
InChIInChI=1S/C10H14N2O.C6H13NO2S/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;1-10(8,9)7-5-3-2-4-6-7/h1-4,11,13H,5-8H2;2-6H2,1H3
InChIKeyRBNPAKPLBMRYAI-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.23
Rot. Bonds2

About 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol

1-methylsulfonylpiperidine;2-piperazin-1-ylphenol (PubChem CID 142156439) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol.

Molecular Properties

Compound Name1-methylsulfonylpiperidine;2-piperazin-1-ylphenol
PubChem CID142156439
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name1-methylsulfonylpiperidine;2-piperazin-1-ylphenol
SMILESCS(=O)(=O)N1CCCCC1.Oc1ccccc1N1CCNCC1
InChIInChI=1S/C10H14N2O.C6H13NO2S/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;1-10(8,9)7-5-3-2-4-6-7/h1-4,11,13H,5-8H2;2-6H2,1H3
InChIKeyRBNPAKPLBMRYAI-UHFFFAOYSA-N
XLogP1.23
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol?
The IUPAC name of 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol (CID 142156439) is 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol.
What is the SMILES notation for 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol?
The canonical SMILES for 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol is CS(=O)(=O)N1CCCCC1.Oc1ccccc1N1CCNCC1.
What is the InChIKey of 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol?
The InChIKey is RBNPAKPLBMRYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C6H13NO2S/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;1-10(8,9)7-5-3-2-4-6-7/h1-4,11,13H,5-8H2;2-6H2,1H3.
What are the key properties of 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol?
1-methylsulfonylpiperidine;2-piperazin-1-ylphenol has a molecular weight of 341.48 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperidine;2-piperazin-1-ylphenol is sourced from PubChem (CID 142156439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).