2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide

C12H25N3O — CID 76986657

IUPAC2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCCC1(CC)CCN(C(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-4-12(5-2)6-8-15(9-7-12)10(3)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyLPJSVGWURVZUDA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.02
Rot. Bonds4

About 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide

2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 76986657) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID76986657
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCCC1(CC)CCN(C(C)C(N)=NO)CC1
InChIInChI=1S/C12H25N3O/c1-4-12(5-2)6-8-15(9-7-12)10(3)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyLPJSVGWURVZUDA-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide (CID 76986657) is 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide is CCC1(CC)CCN(C(C)C(N)=NO)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is LPJSVGWURVZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(5-2)6-8-15(9-7-12)10(3)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76986657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).