2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine

C15H21NO2 — CID 4257642

IUPAC2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine
SMILESc1ccc(CCC2CCCCC23OCCO3)nc1
InChIInChI=1S/C15H21NO2/c1-3-9-15(17-11-12-18-15)13(5-1)7-8-14-6-2-4-10-16-14/h2,4,6,10,13H,1,3,5,7-9,11-12H2
InChIKeyHUHZMHBFEVJWJJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.95
Rot. Bonds3

About 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine

2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine (PubChem CID 4257642) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine
PubChem CID4257642
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine
SMILESc1ccc(CCC2CCCCC23OCCO3)nc1
InChIInChI=1S/C15H21NO2/c1-3-9-15(17-11-12-18-15)13(5-1)7-8-14-6-2-4-10-16-14/h2,4,6,10,13H,1,3,5,7-9,11-12H2
InChIKeyHUHZMHBFEVJWJJ-UHFFFAOYSA-N
XLogP2.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine (CID 4257642) is 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine is c1ccc(CCC2CCCCC23OCCO3)nc1.
What is the InChIKey of 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine?
The InChIKey is HUHZMHBFEVJWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-9-15(17-11-12-18-15)13(5-1)7-8-14-6-2-4-10-16-14/h2,4,6,10,13H,1,3,5,7-9,11-12H2.
What are the key properties of 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine?
2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine has a molecular weight of 247.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]pyridine is sourced from PubChem (CID 4257642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).