(5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C12H16BrN3O2 — CID 58748747

IUPAC(5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCN(CCO)CC1
InChIInChI=1S/C12H16BrN3O2/c13-10-1-2-11(14-9-10)12(18)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyDYLHLRQIXBOKLA-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.59
Rot. Bonds3

About (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 58748747) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID58748747
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name(5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCN(CCO)CC1
InChIInChI=1S/C12H16BrN3O2/c13-10-1-2-11(14-9-10)12(18)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyDYLHLRQIXBOKLA-UHFFFAOYSA-N
XLogP0.59
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone 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 (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 58748747) is (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1ccc(Br)cn1)N1CCN(CCO)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is DYLHLRQIXBOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-10-1-2-11(14-9-10)12(18)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2.
What are the key properties of (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 314.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 58748747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).