1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine

C13H19BrN2O — CID 171934485

IUPAC1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCOc1cccc(Br)c1CN1CCNCC1C
InChIInChI=1S/C13H19BrN2O/c1-10-8-15-6-7-16(10)9-11-12(14)4-3-5-13(11)17-2/h3-5,10,15H,6-9H2,1-2H3
InChIKeyDHXZCMKXFZIRGZ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.25
Rot. Bonds3

About 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine

1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine (PubChem CID 171934485) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine
PubChem CID171934485
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCOc1cccc(Br)c1CN1CCNCC1C
InChIInChI=1S/C13H19BrN2O/c1-10-8-15-6-7-16(10)9-11-12(14)4-3-5-13(11)17-2/h3-5,10,15H,6-9H2,1-2H3
InChIKeyDHXZCMKXFZIRGZ-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
CID 120839244
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839243
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine
CID 65323068
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
CID 82713463
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
CID 126435859
(2S)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpiperazine
CID 82755517

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine (CID 171934485) is 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine is COc1cccc(Br)c1CN1CCNCC1C.
What is the InChIKey of 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine?
The InChIKey is DHXZCMKXFZIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-8-15-6-7-16(10)9-11-12(14)4-3-5-13(11)17-2/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine?
1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine has a molecular weight of 299.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 171934485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).