3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one

C13H22N2O2 — CID 86820617

IUPAC3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one
SMILESO=C1C(O)C2(CCCCC2)N1C1CCNCC1
InChIInChI=1S/C13H22N2O2/c16-11-12(17)15(10-4-8-14-9-5-10)13(11)6-2-1-3-7-13/h10-11,14,16H,1-9H2
InChIKeyAACBOCPYPDYSRF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.64
Rot. Bonds1

About 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one

3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one (PubChem CID 86820617) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one
PubChem CID86820617
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one
SMILESO=C1C(O)C2(CCCCC2)N1C1CCNCC1
InChIInChI=1S/C13H22N2O2/c16-11-12(17)15(10-4-8-14-9-5-10)13(11)6-2-1-3-7-13/h10-11,14,16H,1-9H2
InChIKeyAACBOCPYPDYSRF-UHFFFAOYSA-N
XLogP0.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one (CID 86820617) is 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one is O=C1C(O)C2(CCCCC2)N1C1CCNCC1.
What is the InChIKey of 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one?
The InChIKey is AACBOCPYPDYSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-11-12(17)15(10-4-8-14-9-5-10)13(11)6-2-1-3-7-13/h10-11,14,16H,1-9H2.
What are the key properties of 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one?
3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-piperidin-4-yl-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 86820617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).