4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine

C13H22N4 — CID 57332947

IUPAC4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine
SMILESCNCc1cccc(NN2CCN(C)CC2)c1
InChIInChI=1S/C13H22N4/c1-14-11-12-4-3-5-13(10-12)15-17-8-6-16(2)7-9-17/h3-5,10,14-15H,6-9,11H2,1-2H3
InChIKeyLEKBTZKCGWZWHG-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.98
Rot. Bonds4

About 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine

4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine (PubChem CID 57332947) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine
PubChem CID57332947
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine
SMILESCNCc1cccc(NN2CCN(C)CC2)c1
InChIInChI=1S/C13H22N4/c1-14-11-12-4-3-5-13(10-12)15-17-8-6-16(2)7-9-17/h3-5,10,14-15H,6-9,11H2,1-2H3
InChIKeyLEKBTZKCGWZWHG-UHFFFAOYSA-N
XLogP0.98
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[3-(methylaminomethyl)phenyl]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

4-methyl-N-phenylpiperazin-1-amine
CID 22361228
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 81150963
2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606211
N-[[3-[[(6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundec-2-yl)amino]methyl]phenyl]methyl]-6,9-dimethyl-1,3-dioxa-6,9-diaza-2-phosphacycloundecan-2-amine
CID 10602617
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
CID 63031426
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 143242088
1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 82753134
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-[3-(methylaminomethyl)phenyl]-3-methylsulfonylpropanamide
CID 54895428

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine (CID 57332947) is 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine is CNCc1cccc(NN2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine?
The InChIKey is LEKBTZKCGWZWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-11-12-4-3-5-13(10-12)15-17-8-6-16(2)7-9-17/h3-5,10,14-15H,6-9,11H2,1-2H3.
What are the key properties of 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine?
4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine has a molecular weight of 234.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylaminomethyl)phenyl]piperazin-1-amine is sourced from PubChem (CID 57332947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).