Basic information
- Standard SMILES
O=C(c1ccc(Br)cn1)N1CCN(CCO)CC1- InChIKey
DYLHLRQIXBOKLA-UHFFFAOYSA-N- Molecular formula
- C12H16BrN3O2
- Average molar mass
- 314.18 g/mol
Names & identifiers
- Preferred name
- (5-Bromo-pyridin-2-yl)-(4-(2-hydroxy-ethyl)-piperazin-1-yl)-methanone
- IUPAC
- (5-bromo-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
Names & synonyms
(5-bromo-pyridin-2-yl)-(4-(2-hydroxy-ethyl)-piperazin-1-yl)-methanone(5-Bromo-pyridin-2-yl)-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone910903-54-7SCHEMBL2377467CHEMBL4585224DYLHLRQIXBOKLA-UHFFFAOYSA-NAKOS012258619DB-362199Z1065600896
Database identifiers
- PubChem CID
- 58748747
- ChEMBL
CHEMBL4585224
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
6 records
Compound notes
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