2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide

C16H26N4 — CID 81278860

IUPAC2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC(C)C)CC2)cc1C
InChIInChI=1S/C16H26N4/c1-12(2)11-19-6-8-20(9-7-19)14-4-5-15(16(17)18)13(3)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H3,17,18)
InChIKeyQUPRWVIZIGFWMC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide

2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide (PubChem CID 81278860) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
PubChem CID81278860
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC(C)C)CC2)cc1C
InChIInChI=1S/C16H26N4/c1-12(2)11-19-6-8-20(9-7-19)14-4-5-15(16(17)18)13(3)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H3,17,18)
InChIKeyQUPRWVIZIGFWMC-UHFFFAOYSA-N
XLogP2.06
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.06
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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Related Compounds

2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 81279590
4-(azocan-1-yl)-2-methylbenzenecarboximidamide
CID 81279161
2-methyl-4-thiomorpholin-4-ylbenzenecarboximidamide
CID 81278736
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
CID 80513375
3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 63089228
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzenecarboximidamide
CID 81278399
2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 55116927
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
1-[2-methyl-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenamine
CID 171657633
4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
CID 62947534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide (CID 81278860) is 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(CC(C)C)CC2)cc1C.
What is the InChIKey of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
The InChIKey is QUPRWVIZIGFWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12(2)11-19-6-8-20(9-7-19)14-4-5-15(16(17)18)13(3)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H3,17,18).
What are the key properties of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide has a molecular weight of 274.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 81278860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).