4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine

C13H21N3 — CID 80503110

IUPAC4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine
SMILESCc1ccc(CNN2CCN(C)CC2)cc1
InChIInChI=1S/C13H21N3/c1-12-3-5-13(6-4-12)11-14-16-9-7-15(2)8-10-16/h3-6,14H,7-11H2,1-2H3
InChIKeyYGHURZUBBBFGOB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.25
Rot. Bonds3

About 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine

4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine (PubChem CID 80503110) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine
PubChem CID80503110
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine
SMILESCc1ccc(CNN2CCN(C)CC2)cc1
InChIInChI=1S/C13H21N3/c1-12-3-5-13(6-4-12)11-14-16-9-7-15(2)8-10-16/h3-6,14H,7-11H2,1-2H3
InChIKeyYGHURZUBBBFGOB-UHFFFAOYSA-N
XLogP1.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(4-methylphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine (CID 80503110) is 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine is Cc1ccc(CNN2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine?
The InChIKey is YGHURZUBBBFGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-12-3-5-13(6-4-12)11-14-16-9-7-15(2)8-10-16/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine?
4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]piperazin-1-amine is sourced from PubChem (CID 80503110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).