1-aminooxy-3-piperidin-1-ylpropan-2-ol

C8H18N2O2 — CID 18766210

IUPAC1-aminooxy-3-piperidin-1-ylpropan-2-ol
SMILESNOCC(O)CN1CCCCC1
InChIInChI=1S/C8H18N2O2/c9-12-7-8(11)6-10-4-2-1-3-5-10/h8,11H,1-7,9H2
InChIKeyZDWMZIWWYSLIQL-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.28
Rot. Bonds4

About 1-aminooxy-3-piperidin-1-ylpropan-2-ol

1-aminooxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 18766210) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-aminooxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-aminooxy-3-piperidin-1-ylpropan-2-ol
PubChem CID18766210
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-aminooxy-3-piperidin-1-ylpropan-2-ol
SMILESNOCC(O)CN1CCCCC1
InChIInChI=1S/C8H18N2O2/c9-12-7-8(11)6-10-4-2-1-3-5-10/h8,11H,1-7,9H2
InChIKeyZDWMZIWWYSLIQL-UHFFFAOYSA-N
XLogP-0.28
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-aminooxy-3-piperidin-1-ylpropan-2-ol (CID 18766210) is 1-aminooxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-aminooxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-aminooxy-3-piperidin-1-ylpropan-2-ol is NOCC(O)CN1CCCCC1.
What is the InChIKey of 1-aminooxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is ZDWMZIWWYSLIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-12-7-8(11)6-10-4-2-1-3-5-10/h8,11H,1-7,9H2.
What are the key properties of 1-aminooxy-3-piperidin-1-ylpropan-2-ol?
1-aminooxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 174.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 18766210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).