1-aminooxy-2-imino-2-piperidin-1-ylethanol

C7H15N3O2 — CID 90745429

IUPAC1-aminooxy-2-imino-2-piperidin-1-ylethanol
SMILES[H]/N=C(\C(O)ON)N1CCCCC1
InChIInChI=1S/C7H15N3O2/c8-6(7(11)12-9)10-4-2-1-3-5-10/h7-8,11H,1-5,9H2/b8-6+
InChIKeyJSJBTJXRYKNKAF-SOFGYWHQSA-N
MW173.22 g/mol
LogP-0.34
Rot. Bonds2

About 1-aminooxy-2-imino-2-piperidin-1-ylethanol

1-aminooxy-2-imino-2-piperidin-1-ylethanol (PubChem CID 90745429) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-aminooxy-2-imino-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-aminooxy-2-imino-2-piperidin-1-ylethanol
PubChem CID90745429
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name1-aminooxy-2-imino-2-piperidin-1-ylethanol
SMILES[H]/N=C(\C(O)ON)N1CCCCC1
InChIInChI=1S/C7H15N3O2/c8-6(7(11)12-9)10-4-2-1-3-5-10/h7-8,11H,1-5,9H2/b8-6+
InChIKeyJSJBTJXRYKNKAF-SOFGYWHQSA-N
XLogP-0.34
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Imino-2-piperidin-1-ylethane-1,1-diol
CID 91289521
2-Imino-2-piperidin-1-ylethanol
CID 91460076

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-2-imino-2-piperidin-1-ylethanol?
The IUPAC name of 1-aminooxy-2-imino-2-piperidin-1-ylethanol (CID 90745429) is 1-aminooxy-2-imino-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-aminooxy-2-imino-2-piperidin-1-ylethanol?
The canonical SMILES for 1-aminooxy-2-imino-2-piperidin-1-ylethanol is [H]/N=C(\C(O)ON)N1CCCCC1.
What is the InChIKey of 1-aminooxy-2-imino-2-piperidin-1-ylethanol?
The InChIKey is JSJBTJXRYKNKAF-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-6(7(11)12-9)10-4-2-1-3-5-10/h7-8,11H,1-5,9H2/b8-6+.
What are the key properties of 1-aminooxy-2-imino-2-piperidin-1-ylethanol?
1-aminooxy-2-imino-2-piperidin-1-ylethanol has a molecular weight of 173.22 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-2-imino-2-piperidin-1-ylethanol is sourced from PubChem (CID 90745429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).