4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol

C11H23NO3S — CID 65147125

IUPAC4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2)12-7-4-11(13,5-8-12)6-9-16(3,14)15/h10,13H,4-9H2,1-3H3
InChIKeyCNJOGZJWMZMECM-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.66
Rot. Bonds4

About 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol

4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol (PubChem CID 65147125) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol
PubChem CID65147125
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-10(2)12-7-4-11(13,5-8-12)6-9-16(3,14)15/h10,13H,4-9H2,1-3H3
InChIKeyCNJOGZJWMZMECM-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol (CID 65147125) is 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol?
The InChIKey is CNJOGZJWMZMECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)12-7-4-11(13,5-8-12)6-9-16(3,14)15/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol?
4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol has a molecular weight of 249.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 65147125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).