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

C13H21BrCl2N2O — CID 171290106

IUPAC1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(Br)c([C@@H](C)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H19BrN2O.2ClH/c1-10(16-7-5-15-6-8-16)12-9-11(17-2)3-4-13(12)14;;/h3-4,9-10,15H,5-8H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyZNEGNYYLTAZHOY-YQFADDPSSA-N
MW372.13 g/mol
LogP3.27
Rot. Bonds3

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

1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171290106) has the molecular formula C13H21BrCl2N2O and a molecular weight of 372.13 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171290106
Molecular FormulaC13H21BrCl2N2O
Molecular Weight372.13 g/mol
Exact Mass370.02
IUPAC Name1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(Br)c([C@@H](C)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C13H19BrN2O.2ClH/c1-10(16-7-5-15-6-8-16)12-9-11(17-2)3-4-13(12)14;;/h3-4,9-10,15H,5-8H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyZNEGNYYLTAZHOY-YQFADDPSSA-N
XLogP3.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305297
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
(2S)-2-(2-bromo-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183036
1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169936
1-[(1R)-1-(2-bromo-5-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179469
1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride
CID 171289338
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171283147

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171290106) is 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride is COc1ccc(Br)c([C@@H](C)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is ZNEGNYYLTAZHOY-YQFADDPSSA-N. The full InChI is InChI=1S/C13H19BrN2O.2ClH/c1-10(16-7-5-15-6-8-16)12-9-11(17-2)3-4-13(12)14;;/h3-4,9-10,15H,5-8H2,1-2H3;2*1H/t10-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 372.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171290106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).