Basic information
- CAS
1382451-69-5- Standard SMILES
COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1- InChIKey
WFPGKHLTPZENGV-UHFFFAOYSA-N- Molecular formula
- C22H23NO3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.1677936
Names & identifiers
- Preferred name
- Methanone, (4-hydroxy-4-methyl-1-piperidinyl)[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-
- IUPAC
- (4-hydroxy-4-methylpiperidin-1-yl)-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methanone
Names & synonyms
CHEMBL2204438DTXSID001129186BDBM50401089Methanone, (4-hydroxy-4-methyl-1-piperidinyl)[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1382451-69-5VU0462510-1(4-Hydroxy-4-methylpiperidin-1-yl){4-[(4-methoxyphenyl)ethynyl]phenyl}methanone
Database identifiers
- CAS
1382451-69-5- PubChem CID
- 56587992
- DTXSID
DTXSID001129186- ChEMBL
CHEMBL2204438
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…