1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine

C13H19BrN2 — CID 83558611

IUPAC1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine
SMILESCc1ccc(Br)cc1CN1CCNCC1C
InChIInChI=1S/C13H19BrN2/c1-10-3-4-13(14)7-12(10)9-16-6-5-15-8-11(16)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyIDHVFWBIXRZCMW-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.55
Rot. Bonds2

About 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine

1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine (PubChem CID 83558611) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine
PubChem CID83558611
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine
SMILESCc1ccc(Br)cc1CN1CCNCC1C
InChIInChI=1S/C13H19BrN2/c1-10-3-4-13(14)7-12(10)9-16-6-5-15-8-11(16)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyIDHVFWBIXRZCMW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
1-[(5-bromo-2-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64869799
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine
CID 65323068
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine
CID 82761273
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperazine
CID 82761275
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
CID 69099483
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79085242

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine (CID 83558611) is 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine is Cc1ccc(Br)cc1CN1CCNCC1C.
What is the InChIKey of 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine?
The InChIKey is IDHVFWBIXRZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-3-4-13(14)7-12(10)9-16-6-5-15-8-11(16)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine?
1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine has a molecular weight of 283.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methylphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 83558611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).