1-[3-(3-bromo-4-methylphenyl)propyl]piperazine

C14H21BrN2 — CID 82308190

IUPAC1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
SMILESCc1ccc(CCCN2CCNCC2)cc1Br
InChIInChI=1S/C14H21BrN2/c1-12-4-5-13(11-14(12)15)3-2-8-17-9-6-16-7-10-17/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyPKMUBRAMXIXYMH-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.60
Rot. Bonds4

About 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine

1-[3-(3-bromo-4-methylphenyl)propyl]piperazine (PubChem CID 82308190) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
PubChem CID82308190
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
SMILESCc1ccc(CCCN2CCNCC2)cc1Br
InChIInChI=1S/C14H21BrN2/c1-12-4-5-13(11-14(12)15)3-2-8-17-9-6-16-7-10-17/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyPKMUBRAMXIXYMH-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[3-[3-bromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]propyl]piperazine
CID 170864041
3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
CID 116996532
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078
6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105431
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
2-bromo-4-(3-chloropropyl)-1-methylbenzene
CID 53416639
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine (CID 82308190) is 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine is Cc1ccc(CCCN2CCNCC2)cc1Br.
What is the InChIKey of 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine?
The InChIKey is PKMUBRAMXIXYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-12-4-5-13(11-14(12)15)3-2-8-17-9-6-16-7-10-17/h4-5,11,16H,2-3,6-10H2,1H3.
What are the key properties of 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine?
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine has a molecular weight of 297.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-4-methylphenyl)propyl]piperazine is sourced from PubChem (CID 82308190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).