(2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol

C16H24NO+ — CID 6933200

IUPAC(2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol
SMILESO[C@@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCCC2)C1
InChIInChI=1S/C16H23NO/c18-14-11-15(13-7-3-1-4-8-13)17-16(12-14)9-5-2-6-10-16/h1,3-4,7-8,14-15,17-18H,2,5-6,9-12H2/p+1/t14-,15+/m1/s1
InChIKeyRXFNFESRQAGJJM-CABCVRRESA-O
MW246.37 g/mol
LogP2.15
Rot. Bonds1

About (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol

(2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol (PubChem CID 6933200) has the molecular formula C16H24NO+ and a molecular weight of 246.37 g/mol. Its IUPAC name is (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol
PubChem CID6933200
Molecular FormulaC16H24NO+
Molecular Weight246.37 g/mol
Exact Mass246.19
IUPAC Name(2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol
SMILESO[C@@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCCC2)C1
InChIInChI=1S/C16H23NO/c18-14-11-15(13-7-3-1-4-8-13)17-16(12-14)9-5-2-6-10-16/h1,3-4,7-8,14-15,17-18H,2,5-6,9-12H2/p+1/t14-,15+/m1/s1
InChIKeyRXFNFESRQAGJJM-CABCVRRESA-O
XLogP2.15
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-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 (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol (CID 6933200) is (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol is O[C@@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCCC2)C1.
What is the InChIKey of (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol?
The InChIKey is RXFNFESRQAGJJM-CABCVRRESA-O. The full InChI is InChI=1S/C16H23NO/c18-14-11-15(13-7-3-1-4-8-13)17-16(12-14)9-5-2-6-10-16/h1,3-4,7-8,14-15,17-18H,2,5-6,9-12H2/p+1/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol?
(2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol has a molecular weight of 246.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-phenyl-1-azoniaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 6933200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).