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

C13H20N4O — CID 102958427

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C13H20N4O/c1-9-5-7-17(8-11(9)18-2)10-4-3-6-16-12(10)13(14)15/h3-4,6,9,11H,5,7-8H2,1-2H3,(H3,14,15)
InChIKeyTYWJRBWFPBLGAZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds3

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

3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide (PubChem CID 102958427) 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-2-carboximidamide.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
PubChem CID102958427
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C13H20N4O/c1-9-5-7-17(8-11(9)18-2)10-4-3-6-16-12(10)13(14)15/h3-4,6,9,11H,5,7-8H2,1-2H3,(H3,14,15)
InChIKeyTYWJRBWFPBLGAZ-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-4-carboximidamide
CID 102958422
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 102958446
3-(3,4-dihydroxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 106669769
3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958445
3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 102958093
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 102958261
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625
7-fluoro-8-(3-methoxy-4-methylpiperidin-1-yl)quinolin-5-amine
CID 102955565

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide (CID 102958427) is 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1N1CCC(C)C(OC)C1.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is TYWJRBWFPBLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-7-17(8-11(9)18-2)10-4-3-6-16-12(10)13(14)15/h3-4,6,9,11H,5,7-8H2,1-2H3,(H3,14,15).
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide?
3-(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 3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 102958427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).