2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol

C13H27NO2 — CID 70232944

IUPAC2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol
SMILESCCC1(CC)CC(O)CC(CC)(CC)N1O
InChIInChI=1S/C13H27NO2/c1-5-12(6-2)9-11(15)10-13(7-3,8-4)14(12)16/h11,15-16H,5-10H2,1-4H3
InChIKeyFDJBJRFXYCNSMO-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.95
Rot. Bonds4

About 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol

2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol (PubChem CID 70232944) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol
PubChem CID70232944
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol
SMILESCCC1(CC)CC(O)CC(CC)(CC)N1O
InChIInChI=1S/C13H27NO2/c1-5-12(6-2)9-11(15)10-13(7-3,8-4)14(12)16/h11,15-16H,5-10H2,1-4H3
InChIKeyFDJBJRFXYCNSMO-UHFFFAOYSA-N
XLogP2.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol?
The IUPAC name of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol (CID 70232944) is 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol is CCC1(CC)CC(O)CC(CC)(CC)N1O.
What is the InChIKey of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol?
The InChIKey is FDJBJRFXYCNSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-12(6-2)9-11(15)10-13(7-3,8-4)14(12)16/h11,15-16H,5-10H2,1-4H3.
What are the key properties of 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol?
2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol has a molecular weight of 229.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetraethyl-1-hydroxypiperidin-4-ol is sourced from PubChem (CID 70232944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).