2-(4-hydroxyiminopiperidin-1-yl)ethanol

C7H14N2O2 — CID 24692638

IUPAC2-(4-hydroxyiminopiperidin-1-yl)ethanol
SMILESOCCN1CCC(=NO)CC1
InChIInChI=1S/C7H14N2O2/c10-6-5-9-3-1-7(8-11)2-4-9/h10-11H,1-6H2
InChIKeyQFWUPAGYFVSGDT-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.10
Rot. Bonds2

About 2-(4-hydroxyiminopiperidin-1-yl)ethanol

2-(4-hydroxyiminopiperidin-1-yl)ethanol (PubChem CID 24692638) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)ethanol
PubChem CID24692638
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)ethanol
SMILESOCCN1CCC(=NO)CC1
InChIInChI=1S/C7H14N2O2/c10-6-5-9-3-1-7(8-11)2-4-9/h10-11H,1-6H2
InChIKeyQFWUPAGYFVSGDT-UHFFFAOYSA-N
XLogP-0.10
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)ethanol?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)ethanol (CID 24692638) is 2-(4-hydroxyiminopiperidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)ethanol?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)ethanol is OCCN1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)ethanol?
The InChIKey is QFWUPAGYFVSGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-6-5-9-3-1-7(8-11)2-4-9/h10-11H,1-6H2.
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)ethanol?
2-(4-hydroxyiminopiperidin-1-yl)ethanol has a molecular weight of 158.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminopiperidin-1-yl)ethanol is sourced from PubChem (CID 24692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).