1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
Basic information
- CAS
92646-70-3- Standard SMILES
Cc1c(C(=O)N2CCCCC2)oc2ccccc12- InChIKey
KCWGVCAXVYBMIX-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.12592879
Names & identifiers
- Preferred name
- 1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
- IUPAC
- (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
- English name
- SALOR-INT L438499-1EA
- Molecular formula
- C15H17NO2
- Molecular weight
- 243.3
Names & synonyms
1-((3-METHYL-1-BENZOFURAN-2-YL)CARBONYL)PIPERIDINERefChem:418508644-288-192646-70-3(3-Methylbenzofuran-2-yl)(piperidin-1-yl)methanone(3-methyl-1-benzofuran-2-yl)(piperidin-1-yl)methanoneOprea1_355361Oprea1_519710MLS002247891(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanoneCHEMBL1719588DTXSID101321569
Show more names
SALOR-INT L438499-1EAMethanone, (3-methyl-2-benzofuranyl)-1-piperidinyl-
HMS3083M22STK880822AKOS001018369SMR0013153763-methylbenzo[d]furan-2-yl piperidyl ketoneST45197381Z54082343
Database identifiers
- CAS
92646-70-3- PubChem CID
- 768762
- DTXSID
DTXSID101321569- ChEMBL
CHEMBL1719588- EC Number
- 644-288-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
Solubility32 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 410.1 · 410.1±33.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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