8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol

C9H17NO2 — CID 129167177

IUPAC8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol
SMILESCOC(O)C1CC2CCC(C1)N2
InChIInChI=1S/C9H17NO2/c1-12-9(11)6-4-7-2-3-8(5-6)10-7/h6-11H,2-5H2,1H3
InChIKeyOAZDSZWLFILTHS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.48
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol

8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol (PubChem CID 129167177) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol
PubChem CID129167177
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol
SMILESCOC(O)C1CC2CCC(C1)N2
InChIInChI=1S/C9H17NO2/c1-12-9(11)6-4-7-2-3-8(5-6)10-7/h6-11H,2-5H2,1H3
InChIKeyOAZDSZWLFILTHS-UHFFFAOYSA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol (CID 129167177) is 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol is COC(O)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol?
The InChIKey is OAZDSZWLFILTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-9(11)6-4-7-2-3-8(5-6)10-7/h6-11H,2-5H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol?
8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol has a molecular weight of 171.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol is sourced from PubChem (CID 129167177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).