1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride

C13H20Br2Cl2N2 — CID 171282713

IUPAC1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cc(Br)cc(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H18Br2N2.2ClH/c1-2-13(17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10;;/h7-9,13,16H,2-6H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyOKNAATUJTVWZQW-GXKRWWSZSA-N
MW435.03 g/mol
LogP4.41
Rot. Bonds3

About 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride

1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride (PubChem CID 171282713) has the molecular formula C13H20Br2Cl2N2 and a molecular weight of 435.03 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
PubChem CID171282713
Molecular FormulaC13H20Br2Cl2N2
Molecular Weight435.03 g/mol
Exact Mass431.94
IUPAC Name1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cc(Br)cc(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H18Br2N2.2ClH/c1-2-13(17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10;;/h7-9,13,16H,2-6H2,1H3;2*1H/t13-;;/m0../s1
InChIKeyOKNAATUJTVWZQW-GXKRWWSZSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.03
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615
(2S)-2-(3,5-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183163
1-[(1S)-1-[3-bromo-5-(trifluoromethoxy)phenyl]propyl]piperazine
CID 171165677
1-[(1S)-1-(3,5-dibromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171167338
1-[(1R)-1-(3,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290631
(3R)-3-(3,5-dibromophenyl)-3-piperazin-1-ylpropanenitrile
CID 171307111
1-[(1S)-1-(3,5-dibromophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171167331
1-[(1R)-1-(3,5-dibromophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172593
3,5-dibromo-2-[(1R)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171299797
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1S)-1-(3-bromo-5-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309031

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride (CID 171282713) is 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride is CC[C@@H](c1cc(Br)cc(Br)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride?
The InChIKey is OKNAATUJTVWZQW-GXKRWWSZSA-N. The full InChI is InChI=1S/C13H18Br2N2.2ClH/c1-2-13(17-5-3-16-4-6-17)10-7-11(14)9-12(15)8-10;;/h7-9,13,16H,2-6H2,1H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride has a molecular weight of 435.03 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).