9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane

C15H21NO2 — CID 54551566

IUPAC9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C15H21NO2/c1-2-5-14(6-3-1)13-16-9-7-15(8-10-16)17-11-4-12-18-15/h1-3,5-6H,4,7-13H2
InChIKeyZKGKJSFHHJHLTP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds2

About 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 54551566) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID54551566
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C15H21NO2/c1-2-5-14(6-3-1)13-16-9-7-15(8-10-16)17-11-4-12-18-15/h1-3,5-6H,4,7-13H2
InChIKeyZKGKJSFHHJHLTP-UHFFFAOYSA-N
XLogP2.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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AJ-190/13485012
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4-(3-Aminopropoxy)-1-benzylpiperidine
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3-[(1-Benzylpiperidin-4-yl)oxy]propanenitrile
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3-[(4-Tert-butylphenyl)methyl]-7,11-dioxa-3-azaspiro[5.5]undecane
CID 145980864
4-Benzyl-4-methylmorpholin-4-ium
CID 16205156
1-Benzyl-4-propionyloxypiperidine
CID 11959669
(8-Benzyl-1,4-dioxa-8-aza-spiro(4.5)dec-6-YL)-methanol
CID 3563668
4-[1,3-Dioxan-5-yl(phenyl)methyl]morpholine;hydrochloride
CID 12369995
9-Benzyl-3-phenyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 172461896
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 54551566) is 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane is c1ccc(CN2CCC3(CC2)OCCCO3)cc1.
What is the InChIKey of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is ZKGKJSFHHJHLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-5-14(6-3-1)13-16-9-7-15(8-10-16)17-11-4-12-18-15/h1-3,5-6H,4,7-13H2.
What are the key properties of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 247.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 54551566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).