1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine

C15H21BrN2 — CID 64924297

IUPAC1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCc1cc(Br)ccc1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C15H21BrN2/c1-11-9-13(16)5-6-14(11)18-8-7-17-15(2,10-18)12-3-4-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyRGBRMMIOYISNGF-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine

1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine (PubChem CID 64924297) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
PubChem CID64924297
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCc1cc(Br)ccc1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C15H21BrN2/c1-11-9-13(16)5-6-14(11)18-8-7-17-15(2,10-18)12-3-4-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyRGBRMMIOYISNGF-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine 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

3-cyclopropyl-3-methyl-1-(2-methylphenyl)piperazine
CID 64926213
1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924308
1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64926247
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64949392
3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
CID 64923831
1-(2-chloro-4-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64942415
10-(4-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64943378
3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
CID 64924869
1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
CID 64925997
3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
CID 64926348
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
1-(5-bromo-2-methoxyphenyl)-3,3-dimethylpiperazine
CID 64954711

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine (CID 64924297) is 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine is Cc1cc(Br)ccc1N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
The InChIKey is RGBRMMIOYISNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11-9-13(16)5-6-14(11)18-8-7-17-15(2,10-18)12-3-4-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine?
1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine has a molecular weight of 309.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine is sourced from PubChem (CID 64924297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).