1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride

C12H18BrCl2FN2 — CID 171288485

IUPAC1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
SMILESC[C@H](c1cc(F)ccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H16BrFN2.2ClH/c1-9(16-6-4-15-5-7-16)11-8-10(14)2-3-12(11)13;;/h2-3,8-9,15H,4-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyYQWYXIVEWZLIQK-KLQYNRQASA-N
MW360.10 g/mol
LogP3.40
Rot. Bonds2

About 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171288485) has the molecular formula C12H18BrCl2FN2 and a molecular weight of 360.10 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171288485
Molecular FormulaC12H18BrCl2FN2
Molecular Weight360.10 g/mol
Exact Mass358.00
IUPAC Name1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
SMILESC[C@H](c1cc(F)ccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H16BrFN2.2ClH/c1-9(16-6-4-15-5-7-16)11-8-10(14)2-3-12(11)13;;/h2-3,8-9,15H,4-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyYQWYXIVEWZLIQK-KLQYNRQASA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171288505
1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride
CID 171289338
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170551
1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171163782
1-[(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171275863
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171290106
1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171288489
2-bromo-4-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171298115
1-[(1R)-1-(2-bromo-5-fluorophenyl)butyl]piperazine
CID 171169151

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride (CID 171288485) is 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride is C[C@H](c1cc(F)ccc1Br)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is YQWYXIVEWZLIQK-KLQYNRQASA-N. The full InChI is InChI=1S/C12H16BrFN2.2ClH/c1-9(16-6-4-15-5-7-16)11-8-10(14)2-3-12(11)13;;/h2-3,8-9,15H,4-7H2,1H3;2*1H/t9-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 360.10 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171288485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).