2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid

C10H23NO4S — CID 88681230

IUPAC2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid
SMILESCC1CCCC(C)N1CCO.CS(=O)(=O)O
InChIInChI=1S/C9H19NO.CH4O3S/c1-8-4-3-5-9(2)10(8)6-7-11;1-5(2,3)4/h8-9,11H,3-7H2,1-2H3;1H3,(H,2,3,4)
InChIKeyQGAQOUPXGKAXHB-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.75
Rot. Bonds2

About 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid

2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid (PubChem CID 88681230) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid
PubChem CID88681230
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid
SMILESCC1CCCC(C)N1CCO.CS(=O)(=O)O
InChIInChI=1S/C9H19NO.CH4O3S/c1-8-4-3-5-9(2)10(8)6-7-11;1-5(2,3)4/h8-9,11H,3-7H2,1-2H3;1H3,(H,2,3,4)
InChIKeyQGAQOUPXGKAXHB-UHFFFAOYSA-N
XLogP0.75
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxyethyl-dimethyl-octylazanium;methanesulfonate
CID 22678985
[Decyl(2-hydroxyethyl)amino]methanesulfonic acid
CID 53847345
2-[2-(2-Methylsulfonylethyl)piperidin-1-yl]ethanol
CID 57251381
2-[Methyl-(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 84058283
Ethanesulfonic acid;2-piperidin-1-ylethanol
CID 87451337
2-Hydroxyethyl-dimethyl-octylazanium;methanesulfonic acid
CID 87702110
2-[4-(2-Hydroxyethyl)piperazin-1-yl]nonane-1-sulfonic acid
CID 88078702
2-(2,6-Dimethylpiperidin-1-yl)ethyl methanesulfonate
CID 88681232
Methanesulfonic acid;2-piperidin-1-ylethanol
CID 88681300
2-[2-Hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid
CID 121405644
2-[2-Hydroxyethyl-(1-methylpiperidin-4-yl)amino]ethanesulfonic acid;methane
CID 145415858
2-[1-(2-Hydroxyethyl)piperidin-2-yl]ethanesulfonic acid
CID 150409337

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid (CID 88681230) is 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid is CC1CCCC(C)N1CCO.CS(=O)(=O)O.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid?
The InChIKey is QGAQOUPXGKAXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.CH4O3S/c1-8-4-3-5-9(2)10(8)6-7-11;1-5(2,3)4/h8-9,11H,3-7H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid?
2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid has a molecular weight of 253.36 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)ethanol;methanesulfonic acid is sourced from PubChem (CID 88681230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).