Basic information
- Standard SMILES
COc1ccc(C2(C#N)CCCC2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl- InChIKey
UAYRWWONPWVFAL-SBKRINIZSA-N- Molecular formula
- C25H33Cl2N3O
- Average molar mass
- 462.5 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-3-(5-(1-Cyanocyclopentyl)-2-methoxybenzyl)amino-2-phenylpiperidine Dihydrochloride
- IUPAC
- 1-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]cyclopentane-1-carbonitrile;dihydrochloride
Names & synonyms
SCHEMBL7587210UAYRWWONPWVFAL-SBKRINIZSA-N(2S,3S)-3-(5-(1-Cyanocyclopentyl)-2-methoxybenzyl)amino-2-phenylpiperidine Dihydrochloride
Database identifiers
- PubChem CID
- 70137643
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 558
Related reactions
1 records
Compound notes
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