Basic information
- Standard SMILES
CCOC(=O)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1- InChIKey
SRUJUOZBZMYVAY-IZZNHLLZSA-N- Molecular formula
- C27H36N2O2
- Average molar mass
- 420.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-{3-[4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)-1-piperidinyl]propyl}benzoate
- IUPAC
- ethyl 4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzoate
Names & synonyms
SCHEMBL15410553SRUJUOZBZMYVAY-IZZNHLLZSA-NEthyl 4-{3-[4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)-1-piperidinyl]propyl}benzoate
Database identifiers
- PubChem CID
- 89920618
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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