Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
Basic information
- CAS
1423037-40-4- Standard SMILES
CCOC(=O)CC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
YWLSLZDRDHVEFC-UHFFFAOYSA-N- Molecular formula
- C16H27NO6
- Average molar mass
- 329.39 g/mol
- Monoisotopic mass
- 329.18383758
Names & identifiers
- Preferred name
- Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
- IUPAC
- 1-O-tert-butyl 4-O-methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylate
- English name
- Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
- Molecular formula
- C16H27NO6
- Molecular weight
- 329.39
Names & synonyms
1423037-40-4Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate1-O-tert-butyl 4-O-methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylateMethyl1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylateSCHEMBL20423533DTXSID701116970MFCD23135961BS-27299DB-4210031-(tert-butyl) 4-methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylate1-TERT-BUTYL 4-METHYL 4-(2-ETHOXY-2-OXOETHYL)PIPERIDINE-1,4-DICARBOXYLATEO1-tert-butyl O4-methyl 4-(2-ethoxy-2-oxo-ethyl)piperidine-1,4-dicarboxylate
Show more names
4-Bromo-2,39-diaminopyridine
1,4-Piperidinedicarboxylic acid, 4-(2-ethoxy-2-oxoethyl)-, 1-(1,1-dimethylethyl) 4-methyl ester
Database identifiers
- CAS
1423037-40-4- PubChem CID
- 74889533
- DTXSID
DTXSID701116970
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Boiling point
- 389.7 · 389.7±27.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- -2.66 · -2.66±0.40(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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