8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C15H21NO4 — CID 121456120

IUPAC8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(N2CCC3(CC2)OCCO3)cc1OC
InChIInChI=1S/C15H21NO4/c1-17-13-4-3-12(11-14(13)18-2)16-7-5-15(6-8-16)19-9-10-20-15/h3-4,11H,5-10H2,1-2H3
InChIKeyQQKDPWRVBFYRAQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.05
Rot. Bonds3

About 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 121456120) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID121456120
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(N2CCC3(CC2)OCCO3)cc1OC
InChIInChI=1S/C15H21NO4/c1-17-13-4-3-12(11-14(13)18-2)16-7-5-15(6-8-16)19-9-10-20-15/h3-4,11H,5-10H2,1-2H3
InChIKeyQQKDPWRVBFYRAQ-UHFFFAOYSA-N
XLogP2.05
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 121456120) is 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccc(N2CCC3(CC2)OCCO3)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is QQKDPWRVBFYRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-17-13-4-3-12(11-14(13)18-2)16-7-5-15(6-8-16)19-9-10-20-15/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 279.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 121456120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).