6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide

C13H20N4O — CID 102958446

IUPAC6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)C(OC)C2)nc1
InChIInChI=1S/C13H20N4O/c1-9-5-6-17(8-11(9)18-2)12-4-3-10(7-16-12)13(14)15/h3-4,7,9,11H,5-6,8H2,1-2H3,(H3,14,15)
InChIKeyXOVZARNVLMGHOH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds3

About 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide

6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide (PubChem CID 102958446) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
PubChem CID102958446
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C)C(OC)C2)nc1
InChIInChI=1S/C13H20N4O/c1-9-5-6-17(8-11(9)18-2)12-4-3-10(7-16-12)13(14)15/h3-4,7,9,11H,5-6,8H2,1-2H3,(H3,14,15)
InChIKeyXOVZARNVLMGHOH-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

6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535
3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958445
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958427
6-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboximidamide
CID 62972140
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide
CID 102958422
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
2-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102968762
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102958961
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 63170283
5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 107085467
5-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965835

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide (CID 102958446) is 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2CCC(C)C(OC)C2)nc1.
What is the InChIKey of 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The InChIKey is XOVZARNVLMGHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-6-17(8-11(9)18-2)12-4-3-10(7-16-12)13(14)15/h3-4,7,9,11H,5-6,8H2,1-2H3,(H3,14,15).
What are the key properties of 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide?
6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-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 6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 102958446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).