2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol

C14H20N2O3 — CID 75500690

IUPAC2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC3(C2)OCCO3)n1
InChIInChI=1S/C14H20N2O3/c1-11-3-4-13(17)12(15-11)9-16-6-2-5-14(10-16)18-7-8-19-14/h3-4,17H,2,5-10H2,1H3
InChIKeyFGQCEWSCXWKWHY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds2

About 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol

2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol (PubChem CID 75500690) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol
PubChem CID75500690
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC3(C2)OCCO3)n1
InChIInChI=1S/C14H20N2O3/c1-11-3-4-13(17)12(15-11)9-16-6-2-5-14(10-16)18-7-8-19-14/h3-4,17H,2,5-10H2,1H3
InChIKeyFGQCEWSCXWKWHY-UHFFFAOYSA-N
XLogP1.43
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol?
The IUPAC name of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol (CID 75500690) is 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol.
What is the SMILES notation for 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol?
The canonical SMILES for 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCCC3(C2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol?
The InChIKey is FGQCEWSCXWKWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-3-4-13(17)12(15-11)9-16-6-2-5-14(10-16)18-7-8-19-14/h3-4,17H,2,5-10H2,1H3.
What are the key properties of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol?
2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol has a molecular weight of 264.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol is sourced from PubChem (CID 75500690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).