4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide

C15H24N4 — CID 62306905

IUPAC4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)C1CCN(C)CC1
InChIInChI=1S/C15H24N4/c1-11-4-5-13(15(16)17)14(10-11)19(3)12-6-8-18(2)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H3,16,17)
InChIKeyATBGLNQBUGWBPJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.81
Rot. Bonds3

About 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide

4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide (PubChem CID 62306905) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
PubChem CID62306905
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)C1CCN(C)CC1
InChIInChI=1S/C15H24N4/c1-11-4-5-13(15(16)17)14(10-11)19(3)12-6-8-18(2)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H3,16,17)
InChIKeyATBGLNQBUGWBPJ-UHFFFAOYSA-N
XLogP1.81
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide?
The IUPAC name of 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide (CID 62306905) is 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(C)C1CCN(C)CC1.
What is the InChIKey of 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide?
The InChIKey is ATBGLNQBUGWBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11-4-5-13(15(16)17)14(10-11)19(3)12-6-8-18(2)9-7-12/h4-5,10,12H,6-9H2,1-3H3,(H3,16,17).
What are the key properties of 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide?
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide has a molecular weight of 260.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 62306905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).