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

C12H24Cl2N2O2 — CID 6473700

IUPAC3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride
SMILESC1CC2(CCN1)CC(N1CCOCC1)CO2.Cl.Cl
InChIInChI=1S/C12H22N2O2.2ClH/c1-3-13-4-2-12(1)9-11(10-16-12)14-5-7-15-8-6-14;;/h11,13H,1-10H2;2*1H
InChIKeyIIQPJTDVGOSKOW-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.07
Rot. Bonds1

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

3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride (PubChem CID 6473700) has the molecular formula C12H24Cl2N2O2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride
PubChem CID6473700
Molecular FormulaC12H24Cl2N2O2
Molecular Weight299.24 g/mol
Exact Mass298.12
IUPAC Name3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride
SMILESC1CC2(CCN1)CC(N1CCOCC1)CO2.Cl.Cl
InChIInChI=1S/C12H22N2O2.2ClH/c1-3-13-4-2-12(1)9-11(10-16-12)14-5-7-15-8-6-14;;/h11,13H,1-10H2;2*1H
InChIKeyIIQPJTDVGOSKOW-UHFFFAOYSA-N
XLogP1.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.07
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;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride (CID 6473700) is 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride is C1CC2(CCN1)CC(N1CCOCC1)CO2.Cl.Cl.
What is the InChIKey of 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride?
The InChIKey is IIQPJTDVGOSKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.2ClH/c1-3-13-4-2-12(1)9-11(10-16-12)14-5-7-15-8-6-14;;/h11,13H,1-10H2;2*1H.
What are the key properties of 3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride?
3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane;dihydrochloride has a molecular weight of 299.24 g/mol, XLogP of 1.07, 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;dihydrochloride is sourced from PubChem (CID 6473700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).