3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

C12H22N2O2 — CID 6473701

IUPAC3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)CC(N1CCOCC1)CO2
InChIInChI=1S/C12H22N2O2/c1-3-13-4-2-12(1)9-11(10-16-12)14-5-7-15-8-6-14/h11,13H,1-10H2
InChIKeyXWJZKSIIHIJFKG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.23
Rot. Bonds1

About 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 6473701) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID6473701
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)CC(N1CCOCC1)CO2
InChIInChI=1S/C12H22N2O2/c1-3-13-4-2-12(1)9-11(10-16-12)14-5-7-15-8-6-14/h11,13H,1-10H2
InChIKeyXWJZKSIIHIJFKG-UHFFFAOYSA-N
XLogP0.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 6473701) is 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is C1CC2(CCN1)CC(N1CCOCC1)CO2.
What is the InChIKey of 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XWJZKSIIHIJFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-13-4-2-12(1)9-11(10-16-12)14-5-7-15-8-6-14/h11,13H,1-10H2.
What are the key properties of 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 226.32 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6473701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).