1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol

C9H19NO3S — CID 65146529

IUPAC1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol
SMILESCN1CCC(O)(CCS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO3S/c1-10-6-3-9(11,4-7-10)5-8-14(2,12)13/h11H,3-8H2,1-2H3
InChIKeyYSEBKHUBWUVCIN-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds3

About 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol

1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol (PubChem CID 65146529) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol
PubChem CID65146529
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol
SMILESCN1CCC(O)(CCS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO3S/c1-10-6-3-9(11,4-7-10)5-8-14(2,12)13/h11H,3-8H2,1-2H3
InChIKeyYSEBKHUBWUVCIN-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol?
The IUPAC name of 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol (CID 65146529) is 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol?
The canonical SMILES for 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol is CN1CCC(O)(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol?
The InChIKey is YSEBKHUBWUVCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10-6-3-9(11,4-7-10)5-8-14(2,12)13/h11H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol?
1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylsulfonylethyl)piperidin-4-ol is sourced from PubChem (CID 65146529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).