(2-Chloropyridin-3-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone
Basic information
- CAS
444791-56-4- Standard SMILES
O=C(c1cccnc1Cl)N1CCN(CCO)CC1- InChIKey
BNACZUSUOTVJQJ-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O2
- Average molar mass
- 269.73 g/mol
- Monoisotopic mass
- 269.0931045
Names & identifiers
- Preferred name
- (2-Chloropyridin-3-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone
- IUPAC
- (2-chloro-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
- English name
- (2-Chloro-3-pyridinyl)[4-(2-hydroxyethyl)-1-piperazinyl]methanone
- Molecular formula
- C12H16ClN3O2
- Molecular weight
- 269.73
Names & synonyms
444791-56-4(2-Chloropyridin-3-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone(2-Chloro-3-pyridinyl)[4-(2-hydroxyethyl)-1-piperazinyl]methanone2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]ethan-1-ol(2-Chloropyridin-3-yl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone(2-chloropyridin-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanoneAI-204/316930362-{4-[(2-chloro-3-pyridinyl)carbonyl]-1-piperazinyl}ethanolDTXSID601169726AKOS009126013Methanone, (2-chloro-3-pyridinyl)[4-(2-hydroxyethyl)-1-piperazinyl]-
Database identifiers
- CAS
444791-56-4- PubChem CID
- 901015
- DTXSID
DTXSID601169726
Properties
Computed structural properties
- XLogP
- 0.4
- 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
Physicochemical properties
- Boiling point
- 474.2 · 474.2±45.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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