8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane

C14H19NO2 — CID 726449

IUPAC8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H19NO2/c1-2-4-13(5-3-1)12-15-8-6-14(7-9-15)16-10-11-17-14/h1-5H,6-12H2
InChIKeyAOAMQMAEEUONRT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds2

About 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane

8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 726449) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID726449
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H19NO2/c1-2-4-13(5-3-1)12-15-8-6-14(7-9-15)16-10-11-17-14/h1-5H,6-12H2
InChIKeyAOAMQMAEEUONRT-UHFFFAOYSA-N
XLogP2.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 726449) is 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(CN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AOAMQMAEEUONRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-4-13(5-3-1)12-15-8-6-14(7-9-15)16-10-11-17-14/h1-5H,6-12H2.
What are the key properties of 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 233.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 726449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).