2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide

C13H20N4O — CID 77077430

IUPAC2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CCC(C)N(c2ncccc2C(N)=NO)C1
InChIInChI=1S/C13H20N4O/c1-9-5-6-10(2)17(8-9)13-11(12(14)16-18)4-3-7-15-13/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyKLECDVGELJHMSK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds2

About 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide

2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77077430) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID77077430
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CCC(C)N(c2ncccc2C(N)=NO)C1
InChIInChI=1S/C13H20N4O/c1-9-5-6-10(2)17(8-9)13-11(12(14)16-18)4-3-7-15-13/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyKLECDVGELJHMSK-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
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 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide (CID 77077430) is 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide is CC1CCC(C)N(c2ncccc2C(N)=NO)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is KLECDVGELJHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-6-10(2)17(8-9)13-11(12(14)16-18)4-3-7-15-13/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77077430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).