3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane

C16H30N2O2 — CID 86820559

IUPAC3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane
SMILESCOCCOC1CN(C2CCNCC2)C12CCCCC2
InChIInChI=1S/C16H30N2O2/c1-19-11-12-20-15-13-18(14-5-9-17-10-6-14)16(15)7-3-2-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyNWIAZDWOWNZFOA-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds5

About 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane

3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane (PubChem CID 86820559) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane
PubChem CID86820559
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane
SMILESCOCCOC1CN(C2CCNCC2)C12CCCCC2
InChIInChI=1S/C16H30N2O2/c1-19-11-12-20-15-13-18(14-5-9-17-10-6-14)16(15)7-3-2-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyNWIAZDWOWNZFOA-UHFFFAOYSA-N
XLogP1.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane?
The IUPAC name of 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane (CID 86820559) is 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane?
The canonical SMILES for 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane is COCCOC1CN(C2CCNCC2)C12CCCCC2.
What is the InChIKey of 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane?
The InChIKey is NWIAZDWOWNZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-19-11-12-20-15-13-18(14-5-9-17-10-6-14)16(15)7-3-2-4-8-16/h14-15,17H,2-13H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane?
3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane has a molecular weight of 282.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-piperidin-4-yl-1-azaspiro[3.5]nonane is sourced from PubChem (CID 86820559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).