2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl

C13H24NO2 — CID 53306939

IUPAC—
SMILESCCCCCC1(C)CC(=O)CC(C)(C)N1[O]
InChIInChI=1S/C13H24NO2/c1-5-6-7-8-13(4)10-11(15)9-12(2,3)14(13)16/h5-10H2,1-4H3
InChIKeyWWWSALIGSORXIN-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.11
Rot. Bonds4

About 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl

2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl (PubChem CID 53306939) has the molecular formula C13H24NO2 and a molecular weight of 226.34 g/mol.

Molecular Properties

Compound Name2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl
PubChem CID53306939
Molecular FormulaC13H24NO2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name—
SMILESCCCCCC1(C)CC(=O)CC(C)(C)N1[O]
InChIInChI=1S/C13H24NO2/c1-5-6-7-8-13(4)10-11(15)9-12(2,3)14(13)16/h5-10H2,1-4H3
InChIKeyWWWSALIGSORXIN-UHFFFAOYSA-N
XLogP3.11
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl?
The IUPAC name of 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl (CID 53306939) is not available.
What is the SMILES notation for 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl?
The canonical SMILES for 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl is CCCCCC1(C)CC(=O)CC(C)(C)N1[O].
What is the InChIKey of 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl?
The InChIKey is WWWSALIGSORXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO2/c1-5-6-7-8-13(4)10-11(15)9-12(2,3)14(13)16/h5-10H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl?
2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl has a molecular weight of 226.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-oxo-6-pentylpiperidine-1-oxyl is sourced from PubChem (CID 53306939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).