1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine

C12H24N2O2S — CID 70902467

IUPAC1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine
SMILESCN1CCC(C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(2,15)16/h11-12H,3-10H2,1-2H3
InChIKeyCIEVBQXUYAILIK-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.00
Rot. Bonds2

About 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine

1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine (PubChem CID 70902467) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine
PubChem CID70902467
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine
SMILESCN1CCC(C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(2,15)16/h11-12H,3-10H2,1-2H3
InChIKeyCIEVBQXUYAILIK-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine?
The IUPAC name of 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine (CID 70902467) is 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine?
The canonical SMILES for 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine is CN1CCC(C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine?
The InChIKey is CIEVBQXUYAILIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(2,15)16/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine?
1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine has a molecular weight of 260.40 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylsulfonylpiperidin-4-yl)piperidine is sourced from PubChem (CID 70902467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).