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

C7H14ClNO — CID 2723725

IUPAC1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESCl.OC1CN2CCC1CC2
InChIInChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H
InChIKeyOYEJRVVBERZWPD-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.49
Rot. Bonds

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

1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (PubChem CID 2723725) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
PubChem CID2723725
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESCl.OC1CN2CCC1CC2
InChIInChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H
InChIKeyOYEJRVVBERZWPD-UHFFFAOYSA-N
XLogP0.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.49
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;hydrochloride?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (CID 2723725) is 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is Cl.OC1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The InChIKey is OYEJRVVBERZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
1-azabicyclo[2.2.2]octan-3-ol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.49, 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;hydrochloride is sourced from PubChem (CID 2723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).