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

C12H17BrClFN2 — CID 120839243

IUPAC(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1c(F)cccc1Br.Cl
InChIInChI=1S/C12H16BrFN2.ClH/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;1H/t9-;/m1./s1
InChIKeyLYTORULAJUWOLY-SBSPUUFOSA-N
MW323.64 g/mol
LogP2.80
Rot. Bonds2

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

(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 120839243) has the molecular formula C12H17BrClFN2 and a molecular weight of 323.64 g/mol. Its IUPAC name is (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID120839243
Molecular FormulaC12H17BrClFN2
Molecular Weight323.64 g/mol
Exact Mass322.02
IUPAC Name(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1c(F)cccc1Br.Cl
InChIInChI=1S/C12H16BrFN2.ClH/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;1H/t9-;/m1./s1
InChIKeyLYTORULAJUWOLY-SBSPUUFOSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.64
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
CID 120839244
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
CID 82713463
1-[(2-bromo-6-methoxyphenyl)methyl]-2-methylpiperazine
CID 171934485
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
1-[(2-bromo-6-fluorophenyl)methyl]-2,3-dimethylpiperazine
CID 120843217
(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
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(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-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride (CID 120839243) is (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1Cc1c(F)cccc1Br.Cl.
What is the InChIKey of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is LYTORULAJUWOLY-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H16BrFN2.ClH/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;1H/t9-;/m1./s1.
What are the key properties of (2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride?
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 323.64 g/mol, XLogP of 2.80, 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;hydrochloride is sourced from PubChem (CID 120839243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).