Basic information
- CAS
58013-10-8- Standard SMILES
COC(CN1CCN(c2ccccc2Cl)CC1)c1cccnc1- InChIKey
HONKOOXYBLOMNX-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3O
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.14514
Names & identifiers
- Preferred name
- Piperazine, 4-(o-chlorophenyl)-1-(2-methoxy-2-(3-pyridyl)ethyl)-
- IUPAC
- 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine
Names & synonyms
1-(2-Methoxy-2-(3-pyridyl)ethyl)-4-(2'-chlorophenyl)piperazinePiperazine, 4-(o-chlorophenyl)-1-(2-methoxy-2-(3-pyridyl)ethyl)-58013-10-8RefChem:372664DTXSID209736011-(2-Chlorophenyl)-4-[2-methoxy-2-(pyridin-3-yl)ethyl]piperazine
Database identifiers
- CAS
58013-10-8- PubChem CID
- 3045003
- DTXSID
DTXSID20973601- Nikkaji
- J117.758C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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