3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol

C13H27NO2 — CID 91549508

IUPAC3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
SMILESCC(O)C(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27NO2/c1-10(15)11(2)16-14-12(3,4)8-7-9-13(14,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeySTNVOKPUNPKHKK-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.73
Rot. Bonds3

About 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol

3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol (PubChem CID 91549508) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
PubChem CID91549508
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
SMILESCC(O)C(C)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27NO2/c1-10(15)11(2)16-14-12(3,4)8-7-9-13(14,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeySTNVOKPUNPKHKK-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoylamino]propanoic acid
CID 22679034
3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 62707645
(2,2,6,6-tetramethylpiperidin-1-yl) N-methylcarbamate
CID 167207080
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen carbonate
CID 22150807
2,2,6,6-tetramethyl-1-[1-[4-[4-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]phenyl]phenyl]ethoxy]piperidine
CID 154573678
1-methoxy-2,2,6,6-tetramethylpiperidine
CID 5074768
1-[1-(4-ethenylphenyl)ethoxy]-2,2,6,6-tetramethylpiperidine
CID 102123971
[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methanol
CID 11666460
(2,2,6,6-tetramethylpiperidin-1-yl) N,N-dimethylcarbamate
CID 10242897
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
4-bromo-N-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
CID 166722696
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol (CID 91549508) is 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol is CC(O)C(C)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol?
The InChIKey is STNVOKPUNPKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(15)11(2)16-14-12(3,4)8-7-9-13(14,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol?
3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol is sourced from PubChem (CID 91549508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).