1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride

C7H15Cl2NO — CID 141361926

IUPAC1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
SMILESCl.Cl.OC1CN2CCC1CC2
InChIInChI=1S/C7H13NO.2ClH/c9-7-5-8-3-1-6(7)2-4-8;;/h6-7,9H,1-5H2;2*1H
InChIKeyGRECAEAUENSRIP-UHFFFAOYSA-N
MW200.11 g/mol
LogP0.92
Rot. Bonds

About 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride

1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride (PubChem CID 141361926) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
PubChem CID141361926
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC Name1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
SMILESCl.Cl.OC1CN2CCC1CC2
InChIInChI=1S/C7H13NO.2ClH/c9-7-5-8-3-1-6(7)2-4-8;;/h6-7,9H,1-5H2;2*1H
InChIKeyGRECAEAUENSRIP-UHFFFAOYSA-N
XLogP0.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride (CID 141361926) is 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride is Cl.Cl.OC1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
The InChIKey is GRECAEAUENSRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2ClH/c9-7-5-8-3-1-6(7)2-4-8;;/h6-7,9H,1-5H2;2*1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride?
1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride has a molecular weight of 200.11 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride is sourced from PubChem (CID 141361926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).