3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H19NO3 — CID 171960077

IUPAC3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccc3c(c2)OCO3)CC2CCCC(C1)N2
InChIInChI=1S/C15H19NO3/c17-15(7-11-2-1-3-12(8-15)16-11)10-4-5-13-14(6-10)19-9-18-13/h4-6,11-12,16-17H,1-3,7-9H2
InChIKeyWGISRUOOVDBDJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171960077) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171960077
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccc3c(c2)OCO3)CC2CCCC(C1)N2
InChIInChI=1S/C15H19NO3/c17-15(7-11-2-1-3-12(8-15)16-11)10-4-5-13-14(6-10)19-9-18-13/h4-6,11-12,16-17H,1-3,7-9H2
InChIKeyWGISRUOOVDBDJV-UHFFFAOYSA-N
XLogP1.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1S,5S)-3-(1,3-benzodioxol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113270
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963021
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892
4-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171957923
3-(2-methyl-1,3-benzoxazol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955950
3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955385
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171963019
7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960062
tert-butyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171960069
1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
CID 10398467
1-[(1R,5R)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 98138467
3-[(1R,5R)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-tert-butyl-1H-pyridin-2-one
CID 98138449

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171960077) is 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(c2ccc3c(c2)OCO3)CC2CCCC(C1)N2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is WGISRUOOVDBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(7-11-2-1-3-12(8-15)16-11)10-4-5-13-14(6-10)19-9-18-13/h4-6,11-12,16-17H,1-3,7-9H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 261.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171960077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).