(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol

C9H17NO2 — CID 131096610

IUPAC(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESOC[C@@]12CCC[C@@H](CNC1)[C@@H]2O
InChIInChI=1S/C9H17NO2/c11-6-9-3-1-2-7(8(9)12)4-10-5-9/h7-8,10-12H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyLIOULYUJFFQAHH-XHNCKOQMSA-N
MW171.24 g/mol
LogP-0.27
Rot. Bonds1

About (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol

(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 131096610) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID131096610
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESOC[C@@]12CCC[C@@H](CNC1)[C@@H]2O
InChIInChI=1S/C9H17NO2/c11-6-9-3-1-2-7(8(9)12)4-10-5-9/h7-8,10-12H,1-6H2/t7-,8-,9+/m0/s1
InChIKeyLIOULYUJFFQAHH-XHNCKOQMSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol 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 (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol (CID 131096610) is (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol is OC[C@@]12CCC[C@@H](CNC1)[C@@H]2O.
What is the InChIKey of (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is LIOULYUJFFQAHH-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-9-3-1-2-7(8(9)12)4-10-5-9/h7-8,10-12H,1-6H2/t7-,8-,9+/m0/s1.
What are the key properties of (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol?
(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 171.24 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 131096610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).