Basic information
- CAS
58013-12-0- Standard SMILES
O=C(CN1CCN(c2ccccc2)CC1)c1cccnc1- InChIKey
RHKFILUJULXCGJ-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Names & identifiers
- Preferred name
- Piperazine, 1-nicotinoylmethyl-4-phenyl-
- IUPAC
- 2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanone
Names & synonyms
Piperazine, 1-nicotinoylmethyl-4-phenyl-58013-12-0Ketone, 4-phenyl-1-piperazinylmethyl-3-pyridyl-1-(2-Keto-2-(3'-pyridyl)ethyl)-4-(phenyl)piperazineDTXSID50206737RefChem:372612DTXCID801292282-(4-phenylpiperazin-1-yl)-1-(pyridin-3-yl)ethan-1-one
Database identifiers
- CAS
58013-12-0- PubChem CID
- 3045004
- DTXSID
DTXSID50206737- Nikkaji
- J77.296H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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