1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride

C12H16BrClF2N2 — CID 171170440

IUPAC1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@H](c1c(F)cc(Br)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C12H15BrF2N2.ClH/c1-8(17-4-2-16-3-5-17)12-10(14)6-9(13)7-11(12)15;/h6-8,16H,2-5H2,1H3;1H/t8-;/m1./s1
InChIKeyNENJGLBEACQUIA-DDWIOCJRSA-N
MW341.63 g/mol
LogP3.12
Rot. Bonds2

About 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride

1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride (PubChem CID 171170440) has the molecular formula C12H16BrClF2N2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride
PubChem CID171170440
Molecular FormulaC12H16BrClF2N2
Molecular Weight341.63 g/mol
Exact Mass340.02
IUPAC Name1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@H](c1c(F)cc(Br)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C12H15BrF2N2.ClH/c1-8(17-4-2-16-3-5-17)12-10(14)6-9(13)7-11(12)15;/h6-8,16H,2-5H2,1H3;1H/t8-;/m1./s1
InChIKeyNENJGLBEACQUIA-DDWIOCJRSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromo-2,6-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173708
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
CID 171170472
1-[(1S)-1-(4-bromo-2,6-difluorophenyl)prop-2-enyl]piperazine
CID 171165086
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)ethyl]piperazine
CID 171169983
3-bromo-6-fluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299955
1-[(1S)-1-(4-bromo-2,6-difluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171278608
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
1-[(1S)-1-(4-bromo-2,6-difluorophenyl)-3-fluoropropyl]piperazine
CID 171165155
(3S)-3-(4-bromo-2,6-difluorophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306117
1-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]piperazine
CID 171169947
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride (CID 171170440) is 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride is C[C@H](c1c(F)cc(Br)cc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride?
The InChIKey is NENJGLBEACQUIA-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H15BrF2N2.ClH/c1-8(17-4-2-16-3-5-17)12-10(14)6-9(13)7-11(12)15;/h6-8,16H,2-5H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride?
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride has a molecular weight of 341.63 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromo-2,6-difluorophenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171170440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).