1-hydroperoxy-2,2,6,6-tetramethylpiperidine

C9H19NO2 — CID 87487099

IUPAC1-hydroperoxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1OO
InChIInChI=1S/C9H19NO2/c1-8(2)6-5-7-9(3,4)10(8)12-11/h11H,5-7H2,1-4H3
InChIKeyMAYXYWQMEDFLHH-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.43
Rot. Bonds1

About 1-hydroperoxy-2,2,6,6-tetramethylpiperidine

1-hydroperoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 87487099) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-hydroperoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-hydroperoxy-2,2,6,6-tetramethylpiperidine
PubChem CID87487099
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-hydroperoxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1OO
InChIInChI=1S/C9H19NO2/c1-8(2)6-5-7-9(3,4)10(8)12-11/h11H,5-7H2,1-4H3
InChIKeyMAYXYWQMEDFLHH-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-hydroperoxy-2,2,6,6-tetramethylpiperidine (CID 87487099) is 1-hydroperoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-hydroperoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-hydroperoxy-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1OO.
What is the InChIKey of 1-hydroperoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is MAYXYWQMEDFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)6-5-7-9(3,4)10(8)12-11/h11H,5-7H2,1-4H3.
What are the key properties of 1-hydroperoxy-2,2,6,6-tetramethylpiperidine?
1-hydroperoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 87487099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).