(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol
Basic information
- CAS
27954-13-8- Standard SMILES
C=C[C@H]1CNCC[C@H]1CC[C@H](O)c1ccnc2ccc(OC)cc12- InChIKey
NHVCPGIQKWXLDK-MDOVXXIYSA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942808
Names & identifiers
- Preferred name
- (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol
- IUPAC
- (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol
Names & synonyms
SCHEMBL10869282DTXSID701136372(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol27954-13-8(I+/-S)-I+/--[2-[(3R,4R)-3-Ethenyl-4-piperidinyl]ethyl]-6-methoxy-4-quinolinemethanol
Database identifiers
- CAS
27954-13-8- PubChem CID
- 3068232
- DTXSID
DTXSID701136372
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…