Methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
Basic information
- CAS
505088-49-3- Standard SMILES
COC(=O)C1CCN(C(=O)C(C)(C)C)CC1- InChIKey
CNTNIDHTVUDBAW-UHFFFAOYSA-N- Molecular formula
- C12H21NO3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.15214353
Names & identifiers
- Preferred name
- Methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
- IUPAC
- methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
- English name
- Methyl 1-(2,2-diMethylpropanoyl)piperidine-4-carboxylate
- Molecular formula
- C12H21NO3
- Molecular weight
- 227.3
Names & synonyms
505088-49-3Methyl 1-pivaloylpiperidine-4-carboxylatemethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylateMFCD03576207Methyl1-pivaloylpiperidine-4-carboxylateZINC268343BAS 03589757SCHEMBL12783346DTXSID40354635HMS1704D22HMS5162C04STK040304
Show more names
4-Piperidinecarboxylic acid, 1-(2,2-dimethyl-1-oxopropyl)-, methyl ester
ZINC00268343AKOS000650884SB43354BS-24912ZINC000000268343DB-360882METHYL1PIVALOYLPIPERIDINE4CARBOXYLATECC(C)(C)C(=O)N1CCC(CC1)C(=O)OC
Database identifiers
- CAS
505088-49-3- PubChem CID
- 777600
- DTXSID
DTXSID40354635
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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