(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol

C12H16Br2N2O — CID 171183258

IUPAC(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
SMILESOC[C@H](c1ccc(Br)c(Br)c1)N1CCNCC1
InChIInChI=1S/C12H16Br2N2O/c13-10-2-1-9(7-11(10)14)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2/t12-/m1/s1
InChIKeyCJUHAOUBKQBVIN-GFCCVEGCSA-N
MW364.08 g/mol
LogP2.15
Rot. Bonds3

About (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol

(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol (PubChem CID 171183258) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
PubChem CID171183258
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
SMILESOC[C@H](c1ccc(Br)c(Br)c1)N1CCNCC1
InChIInChI=1S/C12H16Br2N2O/c13-10-2-1-9(7-11(10)14)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2/t12-/m1/s1
InChIKeyCJUHAOUBKQBVIN-GFCCVEGCSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,4-dibromophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189757
1-[(1S)-1-(3,4-dibromophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171296260
2,6-dibromo-4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171182896
1-[(1S)-1-(3,4-dibromophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303163
2-(3-bromo-4-propoxyphenyl)-2-piperazin-1-ylethanol
CID 83979796
(2S)-2-(3,5-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183163
1-[(1S)-1-(3,4-dibromophenyl)hexyl]piperazine
CID 171309713
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol (CID 171183258) is (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol is OC[C@H](c1ccc(Br)c(Br)c1)N1CCNCC1.
What is the InChIKey of (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol?
The InChIKey is CJUHAOUBKQBVIN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c13-10-2-1-9(7-11(10)14)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2/t12-/m1/s1.
What are the key properties of (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol?
(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol has a molecular weight of 364.08 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 171183258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).