3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide

C14H22N4 — CID 63610928

IUPAC3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C14H22N4/c1-11-9-18(7-6-17(11)2)10-12-4-3-5-13(8-12)14(15)16/h3-5,8,11H,6-7,9-10H2,1-2H3,(H3,15,16)
InChIKeyLICPYALJQNKJAH-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.11
Rot. Bonds3

About 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide

3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide (PubChem CID 63610928) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
PubChem CID63610928
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C14H22N4/c1-11-9-18(7-6-17(11)2)10-12-4-3-5-13(8-12)14(15)16/h3-5,8,11H,6-7,9-10H2,1-2H3,(H3,15,16)
InChIKeyLICPYALJQNKJAH-UHFFFAOYSA-N
XLogP1.11
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.11
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 3-[(3,4-dimethylpiperazin-1-yl)methyl]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

Imolamine
CID 27501
1-Phenyl-1-(piperidin-1-yl)methanimine--hydrogen chloride (1/1)
CID 361542
5-Methyl-2-(m-tolyl)-4,5-dihydro-1H-imidazole
CID 19763483
4-[[4-[(4-Carbamimidoylphenyl)methyl]piperazin-1-yl]methyl]benzenecarboximidamide;tetrahydrochloride
CID 145981623
Piperidine, 1-(iminophenylmethyl)-
CID 361543
1-{3-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanamine
CID 16769051
1,4-Dibenzylpiperazine-2-carboximidamide
CID 10542853
1,4-dibenzyl-N'-methylpiperazine-2-carboximidamide
CID 10591958
4-(1,4,7,10-Tetrazacyclododec-2-yl)benzenecarboximidamide
CID 25110628
1-Methyl-4-[(3-methylphenyl)methyl]piperazine
CID 765537
1-Ethyl-4-[(3-methylphenyl)methyl]piperazine
CID 792728
1-(3-Methylbenzyl)-4-(propan-2-yl)piperazine
CID 1148324

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide (CID 63610928) is 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN2CCN(C)C(C)C2)c1.
What is the InChIKey of 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is LICPYALJQNKJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-9-18(7-6-17(11)2)10-12-4-3-5-13(8-12)14(15)16/h3-5,8,11H,6-7,9-10H2,1-2H3,(H3,15,16).
What are the key properties of 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide?
3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 246.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63610928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).