(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine

C12H18N4 — CID 63840277

IUPAC(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine
SMILES[H]/N=C(/c1cc(C)ccn1)N1CCN(C)CC1
InChIInChI=1S/C12H18N4/c1-10-3-4-14-11(9-10)12(13)16-7-5-15(2)6-8-16/h3-4,9,13H,5-8H2,1-2H3/b13-12-
InChIKeyMORXNCPJNNGEBX-SEYXRHQNSA-N
MW218.30 g/mol
LogP0.96
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine

(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine (PubChem CID 63840277) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine
PubChem CID63840277
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine
SMILES[H]/N=C(/c1cc(C)ccn1)N1CCN(C)CC1
InChIInChI=1S/C12H18N4/c1-10-3-4-14-11(9-10)12(13)16-7-5-15(2)6-8-16/h3-4,9,13H,5-8H2,1-2H3/b13-12-
InChIKeyMORXNCPJNNGEBX-SEYXRHQNSA-N
XLogP0.96
TPSA43.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine 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

(4-methylpiperazin-1-yl)-(6-methyl-2-pyridinyl)methanimine
CID 63555290
(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
CID 63179139
(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine
CID 135965162
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 66721579
4-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carboximidamide
CID 55156475
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine
CID 55158441
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840
(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one
CID 93494177
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721193
N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902466
methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde
CID 143675847

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine (CID 63840277) is (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine is [H]/N=C(/c1cc(C)ccn1)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine?
The InChIKey is MORXNCPJNNGEBX-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H18N4/c1-10-3-4-14-11(9-10)12(13)16-7-5-15(2)6-8-16/h3-4,9,13H,5-8H2,1-2H3/b13-12-.
What are the key properties of (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine?
(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine has a molecular weight of 218.30 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine is sourced from PubChem (CID 63840277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).