(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane

C13H24N2O2 — CID 3246372

IUPAC(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
SMILESC1C[C@@H]2CN(CCCN3CCOCC3)[C@@H](C1)O2
InChIInChI=1S/C13H24N2O2/c1-3-12-11-15(13(4-1)17-12)6-2-5-14-7-9-16-10-8-14/h12-13H,1-11H2/t12-,13-/m1/s1
InChIKeyFSIMALIYJGZLBF-CHWSQXEVSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds4

About (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane

(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane (PubChem CID 3246372) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
PubChem CID3246372
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
SMILESC1C[C@@H]2CN(CCCN3CCOCC3)[C@@H](C1)O2
InChIInChI=1S/C13H24N2O2/c1-3-12-11-15(13(4-1)17-12)6-2-5-14-7-9-16-10-8-14/h12-13H,1-11H2/t12-,13-/m1/s1
InChIKeyFSIMALIYJGZLBF-CHWSQXEVSA-N
XLogP0.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane (CID 3246372) is (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane is C1C[C@@H]2CN(CCCN3CCOCC3)[C@@H](C1)O2.
What is the InChIKey of (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
The InChIKey is FSIMALIYJGZLBF-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-12-11-15(13(4-1)17-12)6-2-5-14-7-9-16-10-8-14/h12-13H,1-11H2/t12-,13-/m1/s1.
What are the key properties of (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane?
(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane has a molecular weight of 240.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 3246372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).