(4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl

C13H26NO2 — CID 132559599

IUPAC—
SMILESCCCCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H26NO2/c1-6-7-8-16-11-9-12(2,3)14(15)13(4,5)10-11/h11H,6-10H2,1-5H3
InChIKeyBMWIJRSACXRJTF-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.17
Rot. Bonds4

About (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl

(4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl (PubChem CID 132559599) has the molecular formula C13H26NO2 and a molecular weight of 228.36 g/mol.

Molecular Properties

Compound Name(4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
PubChem CID132559599
Molecular FormulaC13H26NO2
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Name—
SMILESCCCCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H26NO2/c1-6-7-8-16-11-9-12(2,3)14(15)13(4,5)10-11/h11H,6-10H2,1-5H3
InChIKeyBMWIJRSACXRJTF-UHFFFAOYSA-N
XLogP3.17
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.17
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 (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl?
The IUPAC name of (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl (CID 132559599) is not available.
What is the SMILES notation for (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl?
The canonical SMILES for (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl is CCCCOC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl?
The InChIKey is BMWIJRSACXRJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO2/c1-6-7-8-16-11-9-12(2,3)14(15)13(4,5)10-11/h11H,6-10H2,1-5H3.
What are the key properties of (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl?
(4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl has a molecular weight of 228.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-Butoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl is sourced from PubChem (CID 132559599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).