2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine

C13H26N2O2 — CID 87238095

IUPAC2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine
SMILESCC1(C)CCCC(C)(C)N1OON1CCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2)8-7-9-13(3,4)15(12)17-16-14-10-5-6-11-14/h5-11H2,1-4H3
InChIKeyMAMLYCDOAABXIY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.90
Rot. Bonds3

About 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine

2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine (PubChem CID 87238095) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine
PubChem CID87238095
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine
SMILESCC1(C)CCCC(C)(C)N1OON1CCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2)8-7-9-13(3,4)15(12)17-16-14-10-5-6-11-14/h5-11H2,1-4H3
InChIKeyMAMLYCDOAABXIY-UHFFFAOYSA-N
XLogP2.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine (CID 87238095) is 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine is CC1(C)CCCC(C)(C)N1OON1CCCC1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine?
The InChIKey is MAMLYCDOAABXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2)8-7-9-13(3,4)15(12)17-16-14-10-5-6-11-14/h5-11H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine?
2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine has a molecular weight of 242.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-pyrrolidin-1-ylperoxypiperidine is sourced from PubChem (CID 87238095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).