4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine

C12H18N4O2 — CID 83026355

IUPAC4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine
SMILESCc1cccc([N+](=O)[O-])c1NN1CCN(C)CC1
InChIInChI=1S/C12H18N4O2/c1-10-4-3-5-11(16(17)18)12(10)13-15-8-6-14(2)7-9-15/h3-5,13H,6-9H2,1-2H3
InChIKeyBNOCIOYEOKKANX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.48
Rot. Bonds3

About 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine

4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine (PubChem CID 83026355) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine
PubChem CID83026355
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine
SMILESCc1cccc([N+](=O)[O-])c1NN1CCN(C)CC1
InChIInChI=1S/C12H18N4O2/c1-10-4-3-5-11(16(17)18)12(10)13-15-8-6-14(2)7-9-15/h3-5,13H,6-9H2,1-2H3
InChIKeyBNOCIOYEOKKANX-UHFFFAOYSA-N
XLogP1.48
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine 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

N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine
CID 83026070
N-(4-methylpiperazin-1-yl)-4-nitro-1,3-benzoxazol-2-amine
CID 83018232
N-bromo-2-methyl-6-nitroaniline
CID 140553007
2-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 78918375
N-(4-methylpiperazin-1-yl)-2-nitrobenzenecarbothioamide
CID 806598
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077
N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine
CID 133292303
[2-(ethylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 115936385
6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471923
N-(2-cyclopropylethyl)-2-methyl-6-nitroaniline
CID 79033691
N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 75419291
N-(3,4-dimethylcyclohexyl)-2-methyl-6-nitroaniline
CID 115551488

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine?
The IUPAC name of 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine (CID 83026355) is 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine?
The canonical SMILES for 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine is Cc1cccc([N+](=O)[O-])c1NN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine?
The InChIKey is BNOCIOYEOKKANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10-4-3-5-11(16(17)18)12(10)13-15-8-6-14(2)7-9-15/h3-5,13H,6-9H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine?
4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine has a molecular weight of 250.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine is sourced from PubChem (CID 83026355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).