Basic information
- Standard SMILES
CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)O)cn2)C1- InChIKey
AISVOLQGGSAHOL-CQSZACIVSA-N- Molecular formula
- C18H21N3O4
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- (R)-2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxylic acid
- IUPAC
- 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carboxylic acid
Names & synonyms
(R)-2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxylic acid1809064-89-8SCHEMBL17077514AISVOLQGGSAHOL-CQSZACIVSA-NPD198453HY-169499
Database identifiers
- PubChem CID
- 118366221
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
17 records
Compound notes
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