(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine

C12H16BrFN2 — CID 120839244

IUPAC(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1c(F)cccc1Br
InChIInChI=1S/C12H16BrFN2/c1-9-7-15-5-6-16(9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyREZCMQLPSHPYJG-SECBINFHSA-N
MW287.18 g/mol
LogP2.38
Rot. Bonds2

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

(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine (PubChem CID 120839244) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
PubChem CID120839244
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1c(F)cccc1Br
InChIInChI=1S/C12H16BrFN2/c1-9-7-15-5-6-16(9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyREZCMQLPSHPYJG-SECBINFHSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-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

(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839243
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
CID 82713463
1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine
CID 171934485
1-[(2-bromo-6-fluorophenyl)methyl]-2,3-dimethylpiperazine
CID 120843217
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
2-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 64832751
(3aS,6aR)-5-[(2-bromo-6-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846044
(2R)-2-methyl-1-[(2,3,5-trifluorophenyl)methyl]piperazine
CID 69099483
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine (CID 120839244) is (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine is C[C@@H]1CNCCN1Cc1c(F)cccc1Br.
What is the InChIKey of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine?
The InChIKey is REZCMQLPSHPYJG-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-9-7-15-5-6-16(9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine?
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine has a molecular weight of 287.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 120839244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).