N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide

C15H24N4O2 — CID 106587056

IUPACN'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCC1CCCN(c2cc(C)nc(C)c2/C(N)=N/O)C1
InChIInChI=1S/C15H24N4O2/c1-10-7-13(14(11(2)17-10)15(16)18-20)19-6-4-5-12(8-19)9-21-3/h7,12,20H,4-6,8-9H2,1-3H3,(H2,16,18)
InChIKeyXWYGWHOVKJOQNH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds4

About N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 106587056) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID106587056
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCC1CCCN(c2cc(C)nc(C)c2/C(N)=N/O)C1
InChIInChI=1S/C15H24N4O2/c1-10-7-13(14(11(2)17-10)15(16)18-20)19-6-4-5-12(8-19)9-21-3/h7,12,20H,4-6,8-9H2,1-3H3,(H2,16,18)
InChIKeyXWYGWHOVKJOQNH-UHFFFAOYSA-N
XLogP1.66
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 106589535
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823129
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 106669723
N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 115965345
2-bromo-N'-hydroxy-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587055
4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81053897
N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102781359
N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide
CID 83046252
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbothioamide
CID 112625491
1-[2-[3-(methoxymethyl)piperidin-1-yl]-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 106589223
N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102933012

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide (CID 106587056) is N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide is COCC1CCCN(c2cc(C)nc(C)c2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is XWYGWHOVKJOQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-7-13(14(11(2)17-10)15(16)18-20)19-6-4-5-12(8-19)9-21-3/h7,12,20H,4-6,8-9H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 292.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 106587056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).