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

C13H17NO2 — CID 11470039

IUPAC8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-12(5-3-1)14-8-6-13(7-9-14)15-10-11-16-13/h1-5H,6-11H2
InChIKeySHWMIZAOLFMOSA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.03
Rot. Bonds1

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

8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 11470039) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID11470039
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-12(5-3-1)14-8-6-13(7-9-14)15-10-11-16-13/h1-5H,6-11H2
InChIKeySHWMIZAOLFMOSA-UHFFFAOYSA-N
XLogP2.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenylmorpholine
CID 62339
N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2987051
8-(3,5-Difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610159
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
N-[3-(N-methylanilino)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonamide
CID 71907890
1-(2-Fluorophenyl)-4-methoxypiperidine
CID 15403847
8-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 130225558
8-(2-Nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 22220290
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)acetamide
CID 35425223
8-(4-Methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 389879
1-(2-Fluorophenyl)-4,4-dimethoxypiperidine
CID 820828
2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-N-phenylacetamide
CID 6470029

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 11470039) is 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SHWMIZAOLFMOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-4-12(5-3-1)14-8-6-13(7-9-14)15-10-11-16-13/h1-5H,6-11H2.
What are the key properties of 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 219.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 11470039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).