1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol

C17H29NO2 — CID 128508346

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol
SMILESOC1CCN(CC2CCC3(CCCC3)O2)C12CCCC2
InChIInChI=1S/C17H29NO2/c19-15-6-12-18(17(15)9-3-4-10-17)13-14-5-11-16(20-14)7-1-2-8-16/h14-15,19H,1-13H2
InChIKeyREOWJTMSEPVRKQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.86
Rot. Bonds2

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol (PubChem CID 128508346) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol
PubChem CID128508346
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol
SMILESOC1CCN(CC2CCC3(CCCC3)O2)C12CCCC2
InChIInChI=1S/C17H29NO2/c19-15-6-12-18(17(15)9-3-4-10-17)13-14-5-11-16(20-14)7-1-2-8-16/h14-15,19H,1-13H2
InChIKeyREOWJTMSEPVRKQ-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol (CID 128508346) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol is OC1CCN(CC2CCC3(CCCC3)O2)C12CCCC2.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol?
The InChIKey is REOWJTMSEPVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-15-6-12-18(17(15)9-3-4-10-17)13-14-5-11-16(20-14)7-1-2-8-16/h14-15,19H,1-13H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol has a molecular weight of 279.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-azaspiro[4.4]nonan-4-ol is sourced from PubChem (CID 128508346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).