1-Tert-butyl 4-methyl 4-propylpiperidine-1,4-dicarboxylate
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Basic information
- CAS
1306738-94-2- Standard SMILES
CCCC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
IMGOLPSJOGREBO-UHFFFAOYSA-N- Molecular formula
- C15H27NO4
- Average molar mass
- 285.38 g/mol
- Monoisotopic mass
- 285.19400834
Names & identifiers
- Preferred name
- 1-Tert-butyl 4-methyl 4-propylpiperidine-1,4-dicarboxylate
- IUPAC
- 1-O-tert-butyl 4-O-methyl 4-propylpiperidine-1,4-dicarboxylate
- English name
- 1-tert-Butyl 4-methyl 4-propylpiperidine-1,4-dicarboxylate
- Molecular formula
- C15H27NO4
- Molecular weight
- 285.38
Names & synonyms
1-tert-butyl 4-methyl 4-propylpiperidine-1,4-dicarboxylate1306738-94-2MFCD191034911-O-tert-butyl 4-O-methyl 4-propylpiperidine-1,4-dicarboxylate1,4-piperidinedicarboxylic acid, 4-propyl-, 1-(1,1-dimethylethyl) 4-methyl esterSCHEMBL21963889ALBB-016730AKOS015959881LS-05234H317001-tert-butyl4-methyl4-propylpiperidine-1,4-dicarboxylateO1-tert-butyl O4-methyl 4-propylpiperidine-1,4-dicarboxylate
Database identifiers
- CAS
1306738-94-2- PubChem CID
- 56760821
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 345.9 · 345.9±35.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- pka
- -2.26 · -2.26±0.40(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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