tert-Butyl 4-((6-ethoxypyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate
Basic information
- CAS
1353974-00-1- Standard SMILES
CCOc1cc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)ncn1- InChIKey
YZRMIGZHVPTKMJ-UHFFFAOYSA-N- Molecular formula
- C17H28N4O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.21614077
Names & identifiers
- Preferred name
- tert-Butyl 4-((6-ethoxypyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(6-ethoxypyrimidin-4-yl)-methylamino]piperidine-1-carboxylate
- English name
- 4-[(6-Ethoxy-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C17H28N4O3
- Molecular weight
- 336.42922
Names & synonyms
1353974-00-1tert-Butyl 4-((6-ethoxypyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylate4-[(6-Ethoxy-pyrimidin-4-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[(6-ethoxypyrimidin-4-yl)-methylamino]piperidine-1-carboxylateTERT-BUTYL 4-[(6-ETHOXYPYRIMIDIN-4-YL)(METHYL)AMINO]PIPERIDINE-1-CARBOXYLATEDTXSID901117817AKOS024463542DB-218615G65499F089006tert-Butyl4-((6-ethoxypyrimidin-4-yl)(methyl)amino)piperidine-1-carboxylatetert-butyl 4-[(6-ethoxypyrimidin-4-yl)-methyl-amino]piperidine-1-carboxylate
Show more names
1-Piperidinecarboxylic acid, 4-[(6-ethoxy-4-pyrimidinyl)methylamino]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353974-00-1- PubChem CID
- 66569739
- DTXSID
DTXSID901117817
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 454.6 · 454.6±45.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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