1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride

C12H17BrClFN2 — CID 171168635

IUPAC1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@H](c1ccc(F)c(Br)c1)N1CCNCC1.Cl
InChIInChI=1S/C12H16BrFN2.ClH/c1-9(16-6-4-15-5-7-16)10-2-3-12(14)11(13)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m1./s1
InChIKeyAFKGKKUXJJKXCH-SBSPUUFOSA-N
MW323.64 g/mol
LogP2.98
Rot. Bonds2

About 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride

1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride (PubChem CID 171168635) has the molecular formula C12H17BrClFN2 and a molecular weight of 323.64 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
PubChem CID171168635
Molecular FormulaC12H17BrClFN2
Molecular Weight323.64 g/mol
Exact Mass322.02
IUPAC Name1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@H](c1ccc(F)c(Br)c1)N1CCNCC1.Cl
InChIInChI=1S/C12H16BrFN2.ClH/c1-9(16-6-4-15-5-7-16)10-2-3-12(14)11(13)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m1./s1
InChIKeyAFKGKKUXJJKXCH-SBSPUUFOSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171163329
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621
1-[1-(3-bromo-4-fluorophenyl)ethyl]-3-methylpiperazine
CID 65416576
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171166411
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
(3S)-3-(3-bromo-4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174200
(3R)-3-(3-bromo-4-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179767
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171287262
1-[(1S)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163352
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175353

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride (CID 171168635) is 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride is C[C@H](c1ccc(F)c(Br)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride?
The InChIKey is AFKGKKUXJJKXCH-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H16BrFN2.ClH/c1-9(16-6-4-15-5-7-16)10-2-3-12(14)11(13)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride?
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride has a molecular weight of 323.64 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171168635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).