8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

C15H22N2O2 — CID 133140989

IUPAC8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cc(COCCC2CCOC3(CNC3)C2)ccn1
InChIInChI=1S/C15H22N2O2/c1-5-16-6-2-14(1)10-18-7-3-13-4-8-19-15(9-13)11-17-12-15/h1-2,5-6,13,17H,3-4,7-12H2
InChIKeyTVBXGGQSHLVJIU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds5

About 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133140989) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133140989
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cc(COCCC2CCOC3(CNC3)C2)ccn1
InChIInChI=1S/C15H22N2O2/c1-5-16-6-2-14(1)10-18-7-3-13-4-8-19-15(9-13)11-17-12-15/h1-2,5-6,13,17H,3-4,7-12H2
InChIKeyTVBXGGQSHLVJIU-UHFFFAOYSA-N
XLogP1.76
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.76
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 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 133140989) is 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is c1cc(COCCC2CCOC3(CNC3)C2)ccn1.
What is the InChIKey of 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is TVBXGGQSHLVJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-16-6-2-14(1)10-18-7-3-13-4-8-19-15(9-13)11-17-12-15/h1-2,5-6,13,17H,3-4,7-12H2.
What are the key properties of 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 262.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133140989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).