Basic information
- Standard SMILES
COC(=O)C1(C)CCN(c2ncc(B(O)O)cn2)CC1- InChIKey
FLOUCAYLTKOTML-UHFFFAOYSA-N- Molecular formula
- C12H18BN3O4
- Average molar mass
- 279.1 g/mol
- Monoisotopic mass
- 279.1390362
Names & identifiers
- Preferred name
- [2-(4-Methoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
- IUPAC
- [2-(4-methoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
Names & synonyms
SCHEMBL15415493FLOUCAYLTKOTML-UHFFFAOYSA-N[2-(4-Methoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
Database identifiers
- PubChem CID
- 89923873
Properties
Computed structural properties
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
1 records
Compound notes
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