Basic information
- CAS
129164-39-2- Standard SMILES
CC1CN(CCc2ccccc2)CCC1=O- InChIKey
FYNKVRCSKRJSSF-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 3-Methyl-1-(2-phenylethyl)piperidin-4-one
- IUPAC
- 3-methyl-1-(2-phenylethyl)piperidin-4-one
- English name
- 3-Methyl-1-phenethyl-4-piperidinone
- Molecular formula
- C14H19NO
- Molecular weight
- 217.31
Names & synonyms
3-methyl-1-(2-phenylethyl)piperidin-4-one129164-39-2DTXSID60342337RefChem:1068166DTXCID202934173-methyl-1-phenethylpiperidin-4-one82003-82-53-Methyl-1-(2-Phenylethyl)-4-Piperidone4-piperidinone, 3-methyl-1-(2-phenylethyl)-1-Phenethyl-3-methyl-4-piperidone4-Piperidone, 3-methyl-1-phenethyl-BRN 0141967
Show more names
3-Methyl-1-phenethyl-4-piperidinone3-Methyl-1-phenethyl-4-piperidinone（WS204371）
MFCD016992803-METHYL-1-(2-PHENYL)ETHYL-4-PIPERIDINONE4-21-00-03220 (Beilstein Handbook Reference)TimTec1_002670Oprea1_427437SCHEMBL9466471FYNKVRCSKRJSSF-UHFFFAOYSA-NHMS1541J08
Database identifiers
- CAS
129164-39-2、82003-82-5- PubChem CID
- 580922
- DTXSID
DTXSID60342337- Nikkaji
- J83.636B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 111 · 111-112℃
- Boiling point
- 123 · 123-125 °C(Press: 0.3 Torr)
- Density
- 1.023 · 1.023
- pka
- 8.06 · 8.06±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315; H319; H335
- Precautionary statements
- 261 · P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315; H319; H335
- Precautionary statements
- P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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