8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C15H21NO2 — CID 899309

IUPAC8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-14(5-3-1)6-9-16-10-7-15(8-11-16)17-12-13-18-15/h1-5H,6-13H2
InChIKeyMSJXHJSJKPGTSI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.07
Rot. Bonds3

About 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 899309) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID899309
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-14(5-3-1)6-9-16-10-7-15(8-11-16)17-12-13-18-15/h1-5H,6-13H2
InChIKeyMSJXHJSJKPGTSI-UHFFFAOYSA-N
XLogP2.07
TPSA21.70 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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 899309) is 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(CCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is MSJXHJSJKPGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-4-14(5-3-1)6-9-16-10-7-15(8-11-16)17-12-13-18-15/h1-5H,6-13H2.
What are the key properties of 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 247.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 899309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).