N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline

C18H23N3 — CID 112722053

IUPACN-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
SMILESCNc1ccc(N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-15-4-3-5-18(14-15)21-12-10-20(11-13-21)17-8-6-16(19-2)7-9-17/h3-9,14,19H,10-13H2,1-2H3
InChIKeyYSUJFAJOXFPJIJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.36
Rot. Bonds3

About N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline

N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline (PubChem CID 112722053) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
PubChem CID112722053
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
SMILESCNc1ccc(N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-15-4-3-5-18(14-15)21-12-10-20(11-13-21)17-8-6-16(19-2)7-9-17/h3-9,14,19H,10-13H2,1-2H3
InChIKeyYSUJFAJOXFPJIJ-UHFFFAOYSA-N
XLogP3.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline 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-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline
CID 130459860
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 7309525
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
1,1-dimethyl-4-(3-methylphenyl)piperazin-1-ium iodide
CID 11099608

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The IUPAC name of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline (CID 112722053) is N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline.
What is the SMILES notation for N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The canonical SMILES for N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline is CNc1ccc(N2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The InChIKey is YSUJFAJOXFPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15-4-3-5-18(14-15)21-12-10-20(11-13-21)17-8-6-16(19-2)7-9-17/h3-9,14,19H,10-13H2,1-2H3.
What are the key properties of N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline?
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline has a molecular weight of 281.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline is sourced from PubChem (CID 112722053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).