3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane

C12H16N2O2 — CID 82024478

IUPAC3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(C2COC3(CCNCC3)O2)nc1
InChIInChI=1S/C12H16N2O2/c1-2-6-14-10(3-1)11-9-15-12(16-11)4-7-13-8-5-12/h1-3,6,11,13H,4-5,7-9H2
InChIKeyRDCJCRZDNFRLHH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.25
Rot. Bonds1

About 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane

3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 82024478) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID82024478
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(C2COC3(CCNCC3)O2)nc1
InChIInChI=1S/C12H16N2O2/c1-2-6-14-10(3-1)11-9-15-12(16-11)4-7-13-8-5-12/h1-3,6,11,13H,4-5,7-9H2
InChIKeyRDCJCRZDNFRLHH-UHFFFAOYSA-N
XLogP1.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

11-pyridin-2-yl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-en-1-one
CID 69089342
3-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 82024492
3-(2-ethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 82024495
3-(2-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 175793938
2-pyridin-2-ylmorpholine
CID 19353403
(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124640971
2-(6-oxaspiro[4.6]undecan-10-yl)pyridine
CID 166663519
4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol
CID 82024499
3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131872715
2-(3,6-dihydro-2H-pyran-2-yl)pyridine
CID 122392146
3-[6-[2,6-bis(phenylmethoxy)-3-pyridinyl]-5-fluoro-2-methyl-3-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 172617201
5-methyl-7-pyridin-2-yl-6-oxa-5-azaspiro[3.4]octane
CID 102568288

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane (CID 82024478) is 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(C2COC3(CCNCC3)O2)nc1.
What is the InChIKey of 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is RDCJCRZDNFRLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-6-14-10(3-1)11-9-15-12(16-11)4-7-13-8-5-12/h1-3,6,11,13H,4-5,7-9H2.
What are the key properties of 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane?
3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 220.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 82024478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).