2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C15H24N4O — CID 77016584

IUPAC2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C15H24N4O/c1-10-8-11(2)17-14(12(10)13(16)18-20)19-7-5-6-15(3,4)9-19/h8,20H,5-7,9H2,1-4H3,(H2,16,18)
InChIKeyUORZTMOLSQSUOL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds2

About 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 77016584) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID77016584
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C15H24N4O/c1-10-8-11(2)17-14(12(10)13(16)18-20)19-7-5-6-15(3,4)9-19/h8,20H,5-7,9H2,1-4H3,(H2,16,18)
InChIKeyUORZTMOLSQSUOL-UHFFFAOYSA-N
XLogP2.42
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
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-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 77016584) is 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(N2CCCC(C)(C)C2)n1.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is UORZTMOLSQSUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-8-11(2)17-14(12(10)13(16)18-20)19-7-5-6-15(3,4)9-19/h8,20H,5-7,9H2,1-4H3,(H2,16,18).
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 77016584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).