3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide

C10H21N3O2 — CID 61220722

IUPAC3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCCOC1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C10H21N3O2/c1-2-15-9-3-6-13(7-4-9)8-5-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyOUMPGKANEBGIDE-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds5

About 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide

3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 61220722) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID61220722
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCCOC1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C10H21N3O2/c1-2-15-9-3-6-13(7-4-9)8-5-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyOUMPGKANEBGIDE-UHFFFAOYSA-N
XLogP0.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.62
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'-hydroxypropanimidamide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide (CID 61220722) is 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide is CCOC1CCN(CCC(N)=NO)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is OUMPGKANEBGIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-15-9-3-6-13(7-4-9)8-5-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide?
3-(4-ethoxypiperidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.62, 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'-hydroxypropanimidamide is sourced from PubChem (CID 61220722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).