Methanone, [(3S)-3-(hydroxymethyl)-1-piperidinyl][4-[2-(4-methoxyphenyl)ethynyl]phenyl]-
Basic information
- CAS
1382481-80-2- Standard SMILES
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)cc1- InChIKey
VSLWUPHHCFQTDB-IBGZPJMESA-N- Molecular formula
- C22H23NO3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.1677936
Names & identifiers
- Preferred name
- Methanone, [(3S)-3-(hydroxymethyl)-1-piperidinyl][4-[2-(4-methoxyphenyl)ethynyl]phenyl]-
- IUPAC
- [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methanone
Names & synonyms
CHEMBL2204446DTXSID501123888BDBM50401085Methanone, [(3S)-3-(hydroxymethyl)-1-piperidinyl][4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1382481-80-2VU0463593-1[(3S)-3-(Hydroxymethyl)piperidin-1-yl]{4-[(4-methoxyphenyl)ethynyl]phenyl}methanone
Database identifiers
- CAS
1382481-80-2- PubChem CID
- 56587985
- DTXSID
DTXSID501123888- ChEMBL
CHEMBL2204446
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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