2-[4-(4-bromophenyl)piperazin-1-yl]ethanol

C12H17BrN2O — CID 82124353

IUPAC2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2
InChIKeyCRBQADPMZGGVRG-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.56
Rot. Bonds3

About 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol

2-[4-(4-bromophenyl)piperazin-1-yl]ethanol (PubChem CID 82124353) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
PubChem CID82124353
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2
InChIKeyCRBQADPMZGGVRG-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol (CID 82124353) is 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol?
The InChIKey is CRBQADPMZGGVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2.
What are the key properties of 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol?
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol has a molecular weight of 285.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 82124353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).