3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol

C15H19NO3 — CID 19802584

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2ccc3c(c2)OCCO3)CN2CCC1CC2
InChIInChI=1S/C15H19NO3/c17-15(10-16-5-3-11(15)4-6-16)12-1-2-13-14(9-12)19-8-7-18-13/h1-2,9,11,17H,3-8,10H2
InChIKeyLUVXYDHIONLYLO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.37
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 19802584) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID19802584
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2ccc3c(c2)OCCO3)CN2CCC1CC2
InChIInChI=1S/C15H19NO3/c17-15(10-16-5-3-11(15)4-6-16)12-1-2-13-14(9-12)19-8-7-18-13/h1-2,9,11,17H,3-8,10H2
InChIKeyLUVXYDHIONLYLO-UHFFFAOYSA-N
XLogP1.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

3-(furan-3-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15196231
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963021
N-[4-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)phenyl]benzamide
CID 23198334
2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 66465592
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]ethanol
CID 83690712
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
(1S,5S)-3-(1,3-benzodioxol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113270
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-3-ol
CID 45145409
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171963019
3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
CID 63586788

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol (CID 19802584) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol is OC1(c2ccc3c(c2)OCCO3)CN2CCC1CC2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is LUVXYDHIONLYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(10-16-5-3-11(15)4-6-16)12-1-2-13-14(9-12)19-8-7-18-13/h1-2,9,11,17H,3-8,10H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 261.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 19802584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).