Basic information
- CAS
58013-14-2- Standard SMILES
COc1ccccc1N1CCN(CC(=O)c2cccnc2)CC1- InChIKey
OUIAVCBTBVYMAZ-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- Piperazine, 1-(o-methoxyphenyl)-4-nicotinoylmethyl-
- IUPAC
- 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-3-ylethanone
Names & synonyms
Piperazine, 1-(o-methoxyphenyl)-4-nicotinoylmethyl-58013-14-2Ketone, 4-(o-methoxyphenyl)-1-piperazinylmethyl 3-pyridyl-1-(2-Keto-2-(3'-pyridyl)ethyl)-4-(2'-methoxyphenyl)piperazineDTXSID70206739RefChem:372515DTXCID501292302-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(pyridin-3-yl)ethan-1-one
Database identifiers
- CAS
58013-14-2- PubChem CID
- 3045006
- DTXSID
DTXSID70206739- Nikkaji
- J77.265H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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