11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane

C14H20N2O — CID 70872780

IUPAC11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(C2CNCCC23CNCCO3)cc1
InChIInChI=1S/C14H20N2O/c1-2-4-12(5-3-1)13-10-15-7-6-14(13)11-16-8-9-17-14/h1-5,13,15-16H,6-11H2
InChIKeyJBCRQBXEOLSYDX-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.12
Rot. Bonds1

About 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane

11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 70872780) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID70872780
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(C2CNCCC23CNCCO3)cc1
InChIInChI=1S/C14H20N2O/c1-2-4-12(5-3-1)13-10-15-7-6-14(13)11-16-8-9-17-14/h1-5,13,15-16H,6-11H2
InChIKeyJBCRQBXEOLSYDX-UHFFFAOYSA-N
XLogP1.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 70872780) is 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane is c1ccc(C2CNCCC23CNCCO3)cc1.
What is the InChIKey of 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is JBCRQBXEOLSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-12(5-3-1)13-10-15-7-6-14(13)11-16-8-9-17-14/h1-5,13,15-16H,6-11H2.
What are the key properties of 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 232.33 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 70872780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).