Basic information
- Standard SMILES
O=C(c1ccc(-c2ccc(OCCCN3CCC[C@@H](O)C3)cc2)cc1)N1CCCC1- InChIKey
VQLRXJOKTZVLQO-HSZRJFAPSA-N- Molecular formula
- C25H32N2O3
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.24129289
Names & identifiers
- Preferred name
- (3R)-1-(3-{[4'-(1-pyrrolidinylcarbonyl)[1,1'-biphenyl]-4-yl]oxy}propyl)-3-piperidinol
- IUPAC
- [4-[4-[3-[(3R)-3-hydroxypiperidin-1-yl]propoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
Names & synonyms
SCHEMBL7599273VQLRXJOKTZVLQO-HSZRJFAPSA-N(3R)-1-(3-{[4'-(1-pyrrolidinylcarbonyl)[1,1'-biphenyl]-4-yl]oxy}propyl)-3-piperidinol
Database identifiers
- PubChem CID
- 70141086
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
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