8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H18N2O2 — CID 79026576

IUPAC8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C13H18N2O2/c1-11-2-3-12(14-10-11)15-6-4-13(5-7-15)16-8-9-17-13/h2-3,10H,4-9H2,1H3
InChIKeyDMWKELMEPXKEHC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.73
Rot. Bonds1

About 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 79026576) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID79026576
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C13H18N2O2/c1-11-2-3-12(14-10-11)15-6-4-13(5-7-15)16-8-9-17-13/h2-3,10H,4-9H2,1H3
InChIKeyDMWKELMEPXKEHC-UHFFFAOYSA-N
XLogP1.73
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113014078
3,3-dimethyl-7-(5-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane;ethane
CID 144539338
CID 59766715
CID 59766715
ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 172630694
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109160004
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 10610507
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112875048
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 79026576) is 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is DMWKELMEPXKEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11-2-3-12(14-10-11)15-6-4-13(5-7-15)16-8-9-17-13/h2-3,10H,4-9H2,1H3.
What are the key properties of 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 234.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79026576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).