1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane

C11H22N2O2 — CID 161040368

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane
SMILESCC1(C)CCCC(C)(C)N1O.CN=C=O
InChIInChI=1S/C9H19NO.C2H3NO/c1-8(2)6-5-7-9(3,4)10(8)11;1-3-2-4/h11H,5-7H2,1-4H3;1H3
InChIKeyCSPRMCUVKKDRJY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.37
Rot. Bonds

About 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane

1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane (PubChem CID 161040368) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane
PubChem CID161040368
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane
SMILESCC1(C)CCCC(C)(C)N1O.CN=C=O
InChIInChI=1S/C9H19NO.C2H3NO/c1-8(2)6-5-7-9(3,4)10(8)11;1-3-2-4/h11H,5-7H2,1-4H3;1H3
InChIKeyCSPRMCUVKKDRJY-UHFFFAOYSA-N
XLogP2.37
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane 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;methylimino(oxo)methane?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane (CID 161040368) is 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane is CC1(C)CCCC(C)(C)N1O.CN=C=O.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane?
The InChIKey is CSPRMCUVKKDRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H3NO/c1-8(2)6-5-7-9(3,4)10(8)11;1-3-2-4/h11H,5-7H2,1-4H3;1H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane?
1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane has a molecular weight of 214.31 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidine;methylimino(oxo)methane is sourced from PubChem (CID 161040368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).