2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine

C15H24BrN3 — CID 84607266

IUPAC2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine
SMILESCNCCC1CN(C)CC(C)N1c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-12-10-18(3)11-15(8-9-17-2)19(12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyMMDDSYLKHZMYGF-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.57
Rot. Bonds4

About 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine

2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine (PubChem CID 84607266) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine
PubChem CID84607266
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine
SMILESCNCCC1CN(C)CC(C)N1c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-12-10-18(3)11-15(8-9-17-2)19(12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyMMDDSYLKHZMYGF-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine 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

2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]acetic acid
CID 84607969
1-[1-(4-bromophenyl)-4,6-dimethyl-1,4-diazepan-2-yl]-N-methylmethanamine
CID 84607385
1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine
CID 84607264
2-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]ethanol
CID 84608235
2-[4-(4-bromophenyl)-1,5-dimethyl-1,4-diazepan-2-yl]ethanol
CID 84608271
2-[4-(4-bromophenyl)-1,6-dimethyl-1,4-diazepan-2-yl]ethanol
CID 84608313
[1-(3-bromo-4-methylphenyl)-4,7-dimethyl-1,4-diazepan-2-yl]methanamine
CID 84607346
1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine
CID 84607343
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635314
8-(4-bromophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739801
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine (CID 84607266) is 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine is CNCCC1CN(C)CC(C)N1c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine?
The InChIKey is MMDDSYLKHZMYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12-10-18(3)11-15(8-9-17-2)19(12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine?
2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine is sourced from PubChem (CID 84607266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).