3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C11H23N3O2 — CID 61220902

IUPAC3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCOC1CCN(CC(C)C(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-3-16-10-4-6-14(7-5-10)8-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyLKZVMYMCLWIIBK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds5

About 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 61220902) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID61220902
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCOC1CCN(CC(C)C(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-3-16-10-4-6-14(7-5-10)8-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyLKZVMYMCLWIIBK-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 61220902) is 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CCOC1CCN(CC(C)C(N)=NO)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is LKZVMYMCLWIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-16-10-4-6-14(7-5-10)8-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 61220902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).