2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide

C15H24N4 — CID 81279590

IUPAC2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C15H24N4/c1-11(2)18-6-8-19(9-7-18)13-4-5-14(15(16)17)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3,(H3,16,17)
InChIKeyYVUVZHKFSXZTIK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide

2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 81279590) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
PubChem CID81279590
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C15H24N4/c1-11(2)18-6-8-19(9-7-18)13-4-5-14(15(16)17)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3,(H3,16,17)
InChIKeyYVUVZHKFSXZTIK-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'}

Analyze 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81278860
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-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
CID 62947534
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzenecarboximidamide
CID 81278399
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 62492919
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
2-bromo-4-(4-propan-2-ylpiperazin-1-yl)benzenecarbothioamide
CID 107277398
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbenzenecarboximidamide
CID 81268554
2-chloro-N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 76981695
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide (CID 81279590) is 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is YVUVZHKFSXZTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)18-6-8-19(9-7-18)13-4-5-14(15(16)17)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3,(H3,16,17).
What are the key properties of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide?
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)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 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 81279590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).