1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine

C13H19BrN2 — CID 82553993

IUPAC1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
SMILESCc1cc(Br)c(CN2CCNCC2)cc1C
InChIInChI=1S/C13H19BrN2/c1-10-7-12(13(14)8-11(10)2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyDQGIWGGRNZKUOZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.47
Rot. Bonds2

About 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine

1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine (PubChem CID 82553993) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
PubChem CID82553993
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
SMILESCc1cc(Br)c(CN2CCNCC2)cc1C
InChIInChI=1S/C13H19BrN2/c1-10-7-12(13(14)8-11(10)2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyDQGIWGGRNZKUOZ-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
CID 117470195
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
2-bromo-4-ethyl-6-(piperazin-1-ylmethyl)phenol
CID 117482043
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[(2-bromo-3,6-dimethylphenyl)methyl]piperazine
CID 84812650
5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
CID 82507416

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine (CID 82553993) is 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine is Cc1cc(Br)c(CN2CCNCC2)cc1C.
What is the InChIKey of 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine?
The InChIKey is DQGIWGGRNZKUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-7-12(13(14)8-11(10)2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine?
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine has a molecular weight of 283.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 82553993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).