4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane

C15H22N2O2 — CID 176515540

IUPAC4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane
SMILESCc1ccnc(OC2CCOC3(CCNCC3)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-2-6-17-14(10-12)19-13-3-9-18-15(11-13)4-7-16-8-5-15/h2,6,10,13,16H,3-5,7-9,11H2,1H3
InChIKeyOQKAVTGBVGAJNG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.07
Rot. Bonds2

About 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane

4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 176515540) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane
PubChem CID176515540
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane
SMILESCc1ccnc(OC2CCOC3(CCNCC3)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-2-6-17-14(10-12)19-13-3-9-18-15(11-13)4-7-16-8-5-15/h2,6,10,13,16H,3-5,7-9,11H2,1H3
InChIKeyOQKAVTGBVGAJNG-UHFFFAOYSA-N
XLogP2.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930637
2-cyclopentyloxy-4-methylpyridine
CID 18779821
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154920630
2-methyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131641036
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420064
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
3-(6-propylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930624
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane (CID 176515540) is 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane is Cc1ccnc(OC2CCOC3(CCNCC3)C2)c1.
What is the InChIKey of 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is OQKAVTGBVGAJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-2-6-17-14(10-12)19-13-3-9-18-15(11-13)4-7-16-8-5-15/h2,6,10,13,16H,3-5,7-9,11H2,1H3.
What are the key properties of 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane?
4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 262.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 176515540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).