Basic information
- Standard SMILES
CCC1(C(=O)OC)CCN(c2ncc(B(O)O)cn2)CC1- InChIKey
RBYUMVWWNSJQEH-UHFFFAOYSA-N- Molecular formula
- C13H20BN3O4
- Average molar mass
- 293.13 g/mol
Names & identifiers
- Preferred name
- {2-[4-Ethyl-4-(methoxycarbonyl)piperidin-1-yl]pyrimidin-5-yl}boronic acid
- IUPAC
- [2-(4-ethyl-4-methoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
Names & synonyms
SCHEMBL16909568RBYUMVWWNSJQEH-UHFFFAOYSA-N{2-[4-Ethyl-4-(methoxycarbonyl)piperidin-1-yl]pyrimidin-5-yl}boronic acid
Database identifiers
- PubChem CID
- 131735239
Properties
Computed structural properties
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Related reactions
1 records
Compound notes
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