hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol

C10H23NO5S — CID 66868010

IUPAChydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
SMILESC[NH+]1C(C)(C)CC(O)CC1(C)C.O=S(=O)([O-])O
InChIInChI=1S/C10H21NO.H2O4S/c1-9(2)6-8(12)7-10(3,4)11(9)5;1-5(2,3)4/h8,12H,6-7H2,1-5H3;(H2,1,2,3,4)
InChIKeyUOWRZBNGZFDQHW-UHFFFAOYSA-N
MW269.36 g/mol
LogP-0.78
Rot. Bonds

About hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol

hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol (PubChem CID 66868010) has the molecular formula C10H23NO5S and a molecular weight of 269.36 g/mol. Its IUPAC name is hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Namehydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
PubChem CID66868010
Molecular FormulaC10H23NO5S
Molecular Weight269.36 g/mol
Exact Mass269.13
IUPAC Namehydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
SMILESC[NH+]1C(C)(C)CC(O)CC1(C)C.O=S(=O)([O-])O
InChIInChI=1S/C10H21NO.H2O4S/c1-9(2)6-8(12)7-10(3,4)11(9)5;1-5(2,3)4/h8,12H,6-7H2,1-5H3;(H2,1,2,3,4)
InChIKeyUOWRZBNGZFDQHW-UHFFFAOYSA-N
XLogP-0.78
TPSA102.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
CID 6992729
2-hydroxypropane-1,2,3-tricarboxylate;tris(1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol)
CID 66868143
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide
CID 87935628
azanium hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 57346127
hydrogen sulfate;zirconium(4+)
CID 11213772
strontium hydrogen sulfate
CID 160697720
N'-(2-aminoethyl)ethane-1,2-diamine;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-ol);pentaacetate
CID 158460384
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
CID 20626758
hydrogen sulfate;trimethylsulfanium
CID 10942955
hydrogen sulfate;trimethylstannanylium
CID 18317158
sodium;hydrogen peroxide;hydrogen sulfate
CID 159927283

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
The IUPAC name of hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol (CID 66868010) is hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol.
What is the SMILES notation for hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
The canonical SMILES for hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol is C[NH+]1C(C)(C)CC(O)CC1(C)C.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
The InChIKey is UOWRZBNGZFDQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.H2O4S/c1-9(2)6-8(12)7-10(3,4)11(9)5;1-5(2,3)4/h8,12H,6-7H2,1-5H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol?
hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol has a molecular weight of 269.36 g/mol, XLogP of -0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 66868010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).