N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine

C13H28N2O2 — CID 174683339

IUPACN-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(OO)C(C)(C)C1
InChIInChI=1S/C13H28N2O2/c1-6-7-8-14-11-9-12(2,3)15(17-16)13(4,5)10-11/h11,14,16H,6-10H2,1-5H3
InChIKeyFHXMWZIEIUEOTJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.80
Rot. Bonds5

About N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine

N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 174683339) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID174683339
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(OO)C(C)(C)C1
InChIInChI=1S/C13H28N2O2/c1-6-7-8-14-11-9-12(2,3)15(17-16)13(4,5)10-11/h11,14,16H,6-10H2,1-5H3
InChIKeyFHXMWZIEIUEOTJ-UHFFFAOYSA-N
XLogP2.80
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine (CID 174683339) is N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine is CCCCNC1CC(C)(C)N(OO)C(C)(C)C1.
What is the InChIKey of N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is FHXMWZIEIUEOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-7-8-14-11-9-12(2,3)15(17-16)13(4,5)10-11/h11,14,16H,6-10H2,1-5H3.
What are the key properties of N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine?
N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 174683339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).