3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H23NO3 — CID 171958451

IUPAC3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCC2OCCCO2)CC2CCC(C1)N2
InChIInChI=1S/C13H23NO3/c15-13(5-4-12-16-6-1-7-17-12)8-10-2-3-11(9-13)14-10/h10-12,14-15H,1-9H2
InChIKeyDWKNGJMESMNYKH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.18
Rot. Bonds3

About 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171958451) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171958451
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCC2OCCCO2)CC2CCC(C1)N2
InChIInChI=1S/C13H23NO3/c15-13(5-4-12-16-6-1-7-17-12)8-10-2-3-11(9-13)14-10/h10-12,14-15H,1-9H2
InChIKeyDWKNGJMESMNYKH-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952391
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63588505
3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65145793
3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65145844
3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964325
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951927
2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
CID 67192270
3-but-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952558
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
1',1'-difluoro-3'-(oxolan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
CID 126845573

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 171958451) is 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(CCC2OCCCO2)CC2CCC(C1)N2.
What is the InChIKey of 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DWKNGJMESMNYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-13(5-4-12-16-6-1-7-17-12)8-10-2-3-11(9-13)14-10/h10-12,14-15H,1-9H2.
What are the key properties of 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 241.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171958451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).