1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol

C11H23NO3S — CID 81103700

IUPAC1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC(C)(C)CS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2,3)9-16(14,15)12-7-5-11(4,13)6-8-12/h13H,5-9H2,1-4H3
InChIKeyVWPZNGHQVIQSBG-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds2

About 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol

1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol (PubChem CID 81103700) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol
PubChem CID81103700
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC(C)(C)CS(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2,3)9-16(14,15)12-7-5-11(4,13)6-8-12/h13H,5-9H2,1-4H3
InChIKeyVWPZNGHQVIQSBG-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol (CID 81103700) is 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol is CC(C)(C)CS(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol?
The InChIKey is VWPZNGHQVIQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2,3)9-16(14,15)12-7-5-11(4,13)6-8-12/h13H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol?
1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).