1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol

C13H27NO2 — CID 54235301

IUPAC1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H27NO2/c1-6-7-8-16-14-12(2,3)9-11(15)10-13(14,4)5/h11,15H,6-10H2,1-5H3
InChIKeyQMDGJVUPGIPKCF-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.73
Rot. Bonds4

About 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol

1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 54235301) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID54235301
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H27NO2/c1-6-7-8-16-14-12(2,3)9-11(15)10-13(14,4)5/h11,15H,6-10H2,1-5H3
InChIKeyQMDGJVUPGIPKCF-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 54235301) is 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol is CCCCON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is QMDGJVUPGIPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-7-8-16-14-12(2,3)9-11(15)10-13(14,4)5/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol?
1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 229.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 54235301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).