(2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol

C16H23NO2 — CID 124873227

IUPAC(2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)CN1CCC12CCOCC2
InChIInChI=1S/C16H23NO2/c18-15(12-14-4-2-1-3-5-14)13-17-9-6-16(17)7-10-19-11-8-16/h1-5,15,18H,6-13H2/t15-/m0/s1
InChIKeyXWEMKWHKTHGNDZ-HNNXBMFYSA-N
MW261.36 g/mol
LogP1.84
Rot. Bonds4

About (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol

(2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol (PubChem CID 124873227) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol
PubChem CID124873227
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)CN1CCC12CCOCC2
InChIInChI=1S/C16H23NO2/c18-15(12-14-4-2-1-3-5-14)13-17-9-6-16(17)7-10-19-11-8-16/h1-5,15,18H,6-13H2/t15-/m0/s1
InChIKeyXWEMKWHKTHGNDZ-HNNXBMFYSA-N
XLogP1.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-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)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol (CID 124873227) is (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol is O[C@@H](Cc1ccccc1)CN1CCC12CCOCC2.
What is the InChIKey of (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol?
The InChIKey is XWEMKWHKTHGNDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-15(12-14-4-2-1-3-5-14)13-17-9-6-16(17)7-10-19-11-8-16/h1-5,15,18H,6-13H2/t15-/m0/s1.
What are the key properties of (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol?
(2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol is sourced from PubChem (CID 124873227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).