5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide

C13H20N4O — CID 136990631

IUPAC5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCC1(C)CCN(c2ccc(/C(N)=N/O)nc2)CC1
InChIInChI=1S/C13H20N4O/c1-13(2)5-7-17(8-6-13)10-3-4-11(15-9-10)12(14)16-18/h3-4,9,18H,5-8H2,1-2H3,(H2,14,16)
InChIKeyKJSZRGZLSRIVEM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds2

About 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide

5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990631) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990631
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCC1(C)CCN(c2ccc(/C(N)=N/O)nc2)CC1
InChIInChI=1S/C13H20N4O/c1-13(2)5-7-17(8-6-13)10-3-4-11(15-9-10)12(14)16-18/h3-4,9,18H,5-8H2,1-2H3,(H2,14,16)
InChIKeyKJSZRGZLSRIVEM-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 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136990631) is 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide is CC1(C)CCN(c2ccc(/C(N)=N/O)nc2)CC1.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is KJSZRGZLSRIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2)5-7-17(8-6-13)10-3-4-11(15-9-10)12(14)16-18/h3-4,9,18H,5-8H2,1-2H3,(H2,14,16).
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-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 5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).