4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane

C14H20N2O2 — CID 91660930

IUPAC4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCc1cccc(N2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C14H20N2O2/c1-12-3-2-4-13(15-12)16-7-10-18-14(11-16)5-8-17-9-6-14/h2-4H,5-11H2,1H3
InChIKeyZNCNKXSCGDHIHZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds1

About 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane

4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 91660930) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID91660930
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCc1cccc(N2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C14H20N2O2/c1-12-3-2-4-13(15-12)16-7-10-18-14(11-16)5-8-17-9-6-14/h2-4H,5-11H2,1H3
InChIKeyZNCNKXSCGDHIHZ-UHFFFAOYSA-N
XLogP1.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane (CID 91660930) is 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane is Cc1cccc(N2CCOC3(CCOCC3)C2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is ZNCNKXSCGDHIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-3-2-4-13(15-12)16-7-10-18-14(11-16)5-8-17-9-6-14/h2-4H,5-11H2,1H3.
What are the key properties of 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 248.33 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 91660930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).