Basic information
- Standard SMILES
CCCC1(C(=O)c2ccc3ccccc3n2)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
YNEHGSUPEHZJIP-UHFFFAOYSA-N- Molecular formula
- C23H30N2O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.22564282
Names & identifiers
- Preferred name
- 4-Propyl-4-(quinoline-2-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-propyl-4-(quinoline-2-carbonyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL413992YNEHGSUPEHZJIP-UHFFFAOYSA-N4-propyl-4-(quinoline-2-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58017231
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
6 records
Compound notes
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