2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane

C13H24N2O — CID 79677882

IUPAC2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
SMILESC1CNCC(CN2CC3(CCOCC3)C2)C1
InChIInChI=1S/C13H24N2O/c1-2-12(8-14-5-1)9-15-10-13(11-15)3-6-16-7-4-13/h12,14H,1-11H2
InChIKeyWUIYEERBGUWPST-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane

2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 79677882) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
PubChem CID79677882
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
SMILESC1CNCC(CN2CC3(CCOCC3)C2)C1
InChIInChI=1S/C13H24N2O/c1-2-12(8-14-5-1)9-15-10-13(11-15)3-6-16-7-4-13/h12,14H,1-11H2
InChIKeyWUIYEERBGUWPST-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane (CID 79677882) is 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane is C1CNCC(CN2CC3(CCOCC3)C2)C1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is WUIYEERBGUWPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12(8-14-5-1)9-15-10-13(11-15)3-6-16-7-4-13/h12,14H,1-11H2.
What are the key properties of 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane?
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 224.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 79677882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).