Ethyl 1-benzyl-4-(propionylanilino)-4-piperidinecarboxylate
Basic information
- CAS
61085-74-3- Standard SMILES
CCOC(=O)C1(N(C(=O)CC)c2ccccc2)CCN(Cc2ccccc2)CC1- InChIKey
QOYROTCVRDQKJR-UHFFFAOYSA-N- Molecular formula
- C24H30N2O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.22564282
Names & identifiers
- Preferred name
- Ethyl 1-benzyl-4-(propionylanilino)-4-piperidinecarboxylate
- IUPAC
- ethyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate
Names & synonyms
61085-74-3ethyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylateETHYL 1-BENZYL-4-(PROPIONYLANILINO)-4-PIPERIDINECARBOXYLATEEthyl 1-benzyl-4-(N-phenylpropionamido)piperidine-4-carboxylateOprea1_446379SCHEMBL6045500AKOS000565551PD129091DB-208596SR-01000315855SR-01000315855-1
Database identifiers
- CAS
61085-74-3- PubChem CID
- 978797
- EC Number
- 103-443-9
- Nikkaji
- J1.268.710I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 530
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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