Basic information
- Standard SMILES
Cc1cc(Br)cc(C)c1C(=O)N1CCC(N2CCC(O)CC2)CC1- InChIKey
KEPRMHNWFKCLCV-UHFFFAOYSA-N- Molecular formula
- C19H27BrN2O2
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- (4-Bromo-2,6-dimethyl-phenyl)-(4-hydroxy-[1,4']bipiperidinyl-1'-yl)-methanone
- IUPAC
- (4-bromo-2,6-dimethylphenyl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
Names & synonyms
SCHEMBL1085070KEPRMHNWFKCLCV-UHFFFAOYSA-N(4-bromo-2,6-dimethyl-phenyl)-(4-hydroxy-[1,4']bipiperidinyl-1'-yl)-methanone
Database identifiers
- PubChem CID
- 66901547
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
5 records
Compound notes
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