2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol

C11H16BrN3O — CID 23438660

IUPAC2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol
SMILESOCCC1CNCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c12-9-1-2-11(14-7-9)15-5-4-13-8-10(15)3-6-16/h1-2,7,10,13,16H,3-6,8H2
InChIKeyDKYLHGGYPAQSAZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.00
Rot. Bonds3

About 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol

2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol (PubChem CID 23438660) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol
PubChem CID23438660
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol
SMILESOCCC1CNCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c12-9-1-2-11(14-7-9)15-5-4-13-8-10(15)3-6-16/h1-2,7,10,13,16H,3-6,8H2
InChIKeyDKYLHGGYPAQSAZ-UHFFFAOYSA-N
XLogP1.00
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol (CID 23438660) is 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol is OCCC1CNCCN1c1ccc(Br)cn1.
What is the InChIKey of 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol?
The InChIKey is DKYLHGGYPAQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-9-1-2-11(14-7-9)15-5-4-13-8-10(15)3-6-16/h1-2,7,10,13,16H,3-6,8H2.
What are the key properties of 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol?
2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol has a molecular weight of 286.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-pyridinyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23438660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).