2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide

C13H20N4O — CID 81096579

IUPAC2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H20N4O/c1-9-3-4-10(11(14)15)12(16-9)17-7-5-13(2,18)6-8-17/h3-4,18H,5-8H2,1-2H3,(H3,14,15)
InChIKeyDYUBJRGDAKFEGC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds2

About 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide

2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide (PubChem CID 81096579) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
PubChem CID81096579
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H20N4O/c1-9-3-4-10(11(14)15)12(16-9)17-7-5-13(2,18)6-8-17/h3-4,18H,5-8H2,1-2H3,(H3,14,15)
InChIKeyDYUBJRGDAKFEGC-UHFFFAOYSA-N
XLogP1.03
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide (CID 81096579) is 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1N1CCC(C)(O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide?
The InChIKey is DYUBJRGDAKFEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-3-4-10(11(14)15)12(16-9)17-7-5-13(2,18)6-8-17/h3-4,18H,5-8H2,1-2H3,(H3,14,15).
What are the key properties of 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide?
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 81096579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).