2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide

C9H19N3O — CID 24699314

IUPAC2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide
SMILESCC1CCCC(C)N1C/C(N)=N/O
InChIInChI=1S/C9H19N3O/c1-7-4-3-5-8(2)12(7)6-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyJPLUGANOTRHSBE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.00
Rot. Bonds2

About 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide

2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide (PubChem CID 24699314) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide
PubChem CID24699314
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide
SMILESCC1CCCC(C)N1C/C(N)=N/O
InChIInChI=1S/C9H19N3O/c1-7-4-3-5-8(2)12(7)6-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyJPLUGANOTRHSBE-UHFFFAOYSA-N
XLogP1.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.00
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-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide (CID 24699314) is 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide is CC1CCCC(C)N1C/C(N)=N/O.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is JPLUGANOTRHSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-4-3-5-8(2)12(7)6-9(10)11-13/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide?
2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 24699314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).