4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide

C13H20N4O — CID 102958415

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)C(OC)C2)ccn1
InChIInChI=1S/C13H20N4O/c1-9-4-6-17(8-12(9)18-2)10-3-5-16-11(7-10)13(14)15/h3,5,7,9,12H,4,6,8H2,1-2H3,(H3,14,15)
InChIKeyUUXGNJUSNSAZJU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds3

About 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide

4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide (PubChem CID 102958415) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
PubChem CID102958415
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC(C)C(OC)C2)ccn1
InChIInChI=1S/C13H20N4O/c1-9-4-6-17(8-12(9)18-2)10-3-5-16-11(7-10)13(14)15/h3,5,7,9,12H,4,6,8H2,1-2H3,(H3,14,15)
InChIKeyUUXGNJUSNSAZJU-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

4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 62924914
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958427
6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 102958446
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
CID 102781467
4-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboximidamide
CID 114538182
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide
CID 102958422
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958445
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
4-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 103356330

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide (CID 102958415) is 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCC(C)C(OC)C2)ccn1.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is UUXGNJUSNSAZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-4-6-17(8-12(9)18-2)10-3-5-16-11(7-10)13(14)15/h3,5,7,9,12H,4,6,8H2,1-2H3,(H3,14,15).
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-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 4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 102958415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).