3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide

C13H20N4O — CID 102958422

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1N1CCC(C)C(OC)C1
InChIInChI=1S/C13H20N4O/c1-9-4-6-17(8-12(9)18-2)11-7-16-5-3-10(11)13(14)15/h3,5,7,9,12H,4,6,8H2,1-2H3,(H3,14,15)
InChIKeyILZHUEDUFZZLBS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds3

About 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide

3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide (PubChem CID 102958422) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide
PubChem CID102958422
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1N1CCC(C)C(OC)C1
InChIInChI=1S/C13H20N4O/c1-9-4-6-17(8-12(9)18-2)11-7-16-5-3-10(11)13(14)15/h3,5,7,9,12H,4,6,8H2,1-2H3,(H3,14,15)
InChIKeyILZHUEDUFZZLBS-UHFFFAOYSA-N
XLogP1.23
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
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'}

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Related Compounds

3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958427
3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958445
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 102958446
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 102967603
N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967702
4-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)benzenecarbothioamide
CID 102957989
3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 83228203
3-(3-methylpiperidin-1-yl)pyridine-4-carbothioamide
CID 114288015
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107929353
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 105062852

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide (CID 102958422) is 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1N1CCC(C)C(OC)C1.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide?
The InChIKey is ILZHUEDUFZZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-4-6-17(8-12(9)18-2)11-7-16-5-3-10(11)13(14)15/h3,5,7,9,12H,4,6,8H2,1-2H3,(H3,14,15).
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide?
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 102958422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).