Basic information
- Standard SMILES
Cl[C@@H]1CCCCN(CCc2ccc3c(c2)OCO3)C1- InChIKey
STABZQJHUBZUGI-CYBMUJFWSA-N- Molecular formula
- C15H20ClNO2
- Average molar mass
- 281.78 g/mol
Names & identifiers
- Preferred name
- (r)-3-Chloro-1-(3,4-methylenedioxyphenethyl)homopiperidine
- IUPAC
- (3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloroazepane
Names & synonyms
SCHEMBL6801075STABZQJHUBZUGI-CYBMUJFWSA-N(r)-3-chloro-1-(3,4-methylenedioxyphenethyl)homopiperidine(R)-3-chloro-1-(3,4-methylenedioxyphenethyl) homopiperidine
Database identifiers
- PubChem CID
- 22975048
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Related reactions
2 records
Compound notes
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