Basic information
- CAS
58013-13-1- Standard SMILES
O=C(CN1CCN(c2ccccc2Cl)CC1)c1cccnc1- InChIKey
GBQKNJRLFPNMDY-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1138399
Names & identifiers
- Preferred name
- Piperazine, 1-(o-chlorophenyl)-4-nicotinoylmethyl-
- IUPAC
- 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanone
Names & synonyms
Piperazine, 1-(o-chlorophenyl)-4-nicotinoylmethyl-58013-13-1Ketone, 4-(o-chlorophenyl)-1-piperazinylmethyl 3-pyridyl-1-(2-Keto-2-(3'-pyridyl)ethyl)-4-(2'-chlorophenyl)piperazineDTXSID10206738RefChem:372508DTXCID401292292-[4-(2-chlorophenyl)piperazin-1-yl]-1-(pyridin-3-yl)ethan-1-one
Database identifiers
- CAS
58013-13-1- PubChem CID
- 3045005
- DTXSID
DTXSID10206738- Nikkaji
- J117.759A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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