Basic information
- Standard SMILES
CCOC(=O)N1CCN(c2ccc(OC)c(OC3CCCC3)c2)C[C@@H]1Cc1ccccc1- InChIKey
MLONWSXJWMCEJQ-QFIPXVFZSA-N- Molecular formula
- C26H34N2O4
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.25185757
Names & identifiers
- Preferred name
- (S)-2-Benzyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)-piperazine-1-carboxylic acid ethyl ester
- IUPAC
- ethyl (2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL682645MLONWSXJWMCEJQ-QFIPXVFZSA-N(S)-2-Benzyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)-piperazine-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 23627686
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 576
Related reactions
3 records
Compound notes
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