tert-Butyl (1-(6-methoxypyrimidin-4-yl)piperidin-3-yl)(methyl)carbamate
Basic information
- CAS
1353966-51-4- Standard SMILES
COc1cc(N2CCCC(N(C)C(=O)OC(C)(C)C)C2)ncn1- InChIKey
RPNRMNYYINUCIR-UHFFFAOYSA-N- Molecular formula
- C16H26N4O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.2004907
Names & identifiers
- Preferred name
- tert-Butyl (1-(6-methoxypyrimidin-4-yl)piperidin-3-yl)(methyl)carbamate
- IUPAC
- tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]-N-methylcarbamate
- English name
- [1-(6-Methoxy-pyriMidin-4-yl)-piperidin-3-yl]-Methyl-carbaMic acid tert-butyl ester
- Molecular formula
- C16H26N4O3
- Molecular weight
- 322.4
Names & synonyms
1353966-51-4tert-Butyl (1-(6-methoxypyrimidin-4-yl)piperidin-3-yl)(methyl)carbamate[1-(6-Methoxy-pyrimidin-4-yl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl estertert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]-N-methylcarbamateMFCD21098565DTXSID201117280AKOS024463563AS-73973DB-310622CS-0060896W19361tert-Butyl [1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylcarbamate
Show more names
tert-butyl N-[1-(6-methoxypyrimidin-4-yl)-3-piperidyl]-N-methyl-carbamatetert-Butyl(1-(6-methoxypyrimidin-4-yl)piperidin-3-yl)(methyl)carbamateCarbamic acid, N-[1-(6-methoxy-4-pyrimidinyl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353966-51-4- PubChem CID
- 66569719
- DTXSID
DTXSID201117280
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 462.7 · 462.7±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 6.44 · 6.44±0.26(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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