Basic information
- Standard SMILES
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(OC)CC2)cc(OC)c1.Cl- InChIKey
RVQFGVPJCWKDSI-UHFFFAOYSA-N- Molecular formula
- C26H36Cl2N2O5
- Average molar mass
- 527.5 g/mol
- Monoisotopic mass
- 526.2001276
Names & identifiers
- Preferred name
- 1-[4-Amino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-(4-methoxypiperidin-1-yl)pentan-1-one hydrochloride
- IUPAC
- 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(4-methoxypiperidin-1-yl)pentan-1-one;hydrochloride
Names & synonyms
SCHEMBL7359763RVQFGVPJCWKDSI-UHFFFAOYSA-N1-[4-amino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-(4-methoxypiperidin-1-yl)pentan-1-one hydrochloride
Database identifiers
- PubChem CID
- 19081931
Properties
Computed structural properties
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
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