1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid

C9H21NO5S — CID 173026045

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid
SMILESCC1(C)CCCC(C)(C)N1O.O=S(=O)(O)O
InChIInChI=1S/C9H19NO.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;1-5(2,3)4/h11H,5-7H2,1-4H3;(H2,1,2,3,4)
InChIKeySAZGBCPZJFYNOX-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.77
Rot. Bonds

About 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid

1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid (PubChem CID 173026045) has the molecular formula C9H21NO5S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid
PubChem CID173026045
Molecular FormulaC9H21NO5S
Molecular Weight255.34 g/mol
Exact Mass255.11
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid
SMILESCC1(C)CCCC(C)(C)N1O.O=S(=O)(O)O
InChIInChI=1S/C9H19NO.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;1-5(2,3)4/h11H,5-7H2,1-4H3;(H2,1,2,3,4)
InChIKeySAZGBCPZJFYNOX-UHFFFAOYSA-N
XLogP1.77
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid (CID 173026045) is 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid is CC1(C)CCCC(C)(C)N1O.O=S(=O)(O)O.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid?
The InChIKey is SAZGBCPZJFYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;1-5(2,3)4/h11H,5-7H2,1-4H3;(H2,1,2,3,4).
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid?
1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid has a molecular weight of 255.34 g/mol, XLogP of 1.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidine;sulfuric acid is sourced from PubChem (CID 173026045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).