2-hydroxy-2,5-diazabicyclo[2.2.2]octane

C6H12N2O — CID 170269413

IUPAC2-hydroxy-2,5-diazabicyclo[2.2.2]octane
SMILESON1CC2CCC1CN2
InChIInChI=1S/C6H12N2O/c9-8-4-5-1-2-6(8)3-7-5/h5-7,9H,1-4H2
InChIKeyGXZTYQLRPXNOTE-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.19
Rot. Bonds

About 2-hydroxy-2,5-diazabicyclo[2.2.2]octane

2-hydroxy-2,5-diazabicyclo[2.2.2]octane (PubChem CID 170269413) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-hydroxy-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-hydroxy-2,5-diazabicyclo[2.2.2]octane
PubChem CID170269413
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2-hydroxy-2,5-diazabicyclo[2.2.2]octane
SMILESON1CC2CCC1CN2
InChIInChI=1S/C6H12N2O/c9-8-4-5-1-2-6(8)3-7-5/h5-7,9H,1-4H2
InChIKeyGXZTYQLRPXNOTE-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
CID 131676431
2-(2,5-diazabicyclo[2.2.2]octan-2-yl)acetic acid;dihydrochloride
CID 155970873
cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 175882089
2-methylsulfinyl-2,5-diazabicyclo[2.2.2]octane
CID 130664241
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)-3-methylbutan-2-one
CID 134237193
2-(cyclopent-3-en-1-ylmethyl)-2,5-diazabicyclo[2.2.2]octane
CID 164660543
2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane
CID 128870964
6,8-diazabicyclo[3.2.2]nonan-6-amine
CID 137488680
(1S,4S)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.2]octane
CID 10352979
2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane
CID 127000094
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.2]octane;dihydrochloride
CID 155921130
2-ethyl-2,6-diazabicyclo[3.2.2]nonane
CID 146602390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-hydroxy-2,5-diazabicyclo[2.2.2]octane (CID 170269413) is 2-hydroxy-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-hydroxy-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-hydroxy-2,5-diazabicyclo[2.2.2]octane is ON1CC2CCC1CN2.
What is the InChIKey of 2-hydroxy-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is GXZTYQLRPXNOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c9-8-4-5-1-2-6(8)3-7-5/h5-7,9H,1-4H2.
What are the key properties of 2-hydroxy-2,5-diazabicyclo[2.2.2]octane?
2-hydroxy-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 128.18 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 170269413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).