6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane

C14H20NO2P — CID 177090898

IUPAC6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane
SMILESCP(C)(=O)c1ccc(OC2CC3(CNC3)C2)cc1
InChIInChI=1S/C14H20NO2P/c1-18(2,16)13-5-3-11(4-6-13)17-12-7-14(8-12)9-15-10-14/h3-6,12,15H,7-10H2,1-2H3
InChIKeyVUQXSPPCELOMED-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.07
Rot. Bonds3

About 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane

6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane (PubChem CID 177090898) has the molecular formula C14H20NO2P and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane
PubChem CID177090898
Molecular FormulaC14H20NO2P
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane
SMILESCP(C)(=O)c1ccc(OC2CC3(CNC3)C2)cc1
InChIInChI=1S/C14H20NO2P/c1-18(2,16)13-5-3-11(4-6-13)17-12-7-14(8-12)9-15-10-14/h3-6,12,15H,7-10H2,1-2H3
InChIKeyVUQXSPPCELOMED-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane (CID 177090898) is 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane is CP(C)(=O)c1ccc(OC2CC3(CNC3)C2)cc1.
What is the InChIKey of 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane?
The InChIKey is VUQXSPPCELOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO2P/c1-18(2,16)13-5-3-11(4-6-13)17-12-7-14(8-12)9-15-10-14/h3-6,12,15H,7-10H2,1-2H3.
What are the key properties of 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane?
6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane has a molecular weight of 265.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dimethylphosphorylphenoxy)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 177090898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).