2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol

C10H19NO2 — CID 130123627

IUPAC2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol
SMILESOCCC1C2CCN(CC2)C1CO
InChIInChI=1S/C10H19NO2/c12-6-3-9-8-1-4-11(5-2-8)10(9)7-13/h8-10,12-13H,1-7H2
InChIKeyKAFXGUWZEPZAJG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.07
Rot. Bonds3

About 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol

2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol (PubChem CID 130123627) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol
PubChem CID130123627
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol
SMILESOCCC1C2CCN(CC2)C1CO
InChIInChI=1S/C10H19NO2/c12-6-3-9-8-1-4-11(5-2-8)10(9)7-13/h8-10,12-13H,1-7H2
InChIKeyKAFXGUWZEPZAJG-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol?
The IUPAC name of 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol (CID 130123627) is 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol is OCCC1C2CCN(CC2)C1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol?
The InChIKey is KAFXGUWZEPZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-6-3-9-8-1-4-11(5-2-8)10(9)7-13/h8-10,12-13H,1-7H2.
What are the key properties of 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol?
2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol has a molecular weight of 185.27 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-yl]ethanol is sourced from PubChem (CID 130123627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).