Basic information
- CAS
58013-17-5- Standard SMILES
Clc1ccccc1N1CCN(CCc2cccnc2)CC1- InChIKey
ONEBUYWOPQQDEV-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3
- Average molar mass
- 301.8 g/mol
- Monoisotopic mass
- 301.1345753
Names & identifiers
- Preferred name
- Piperazine, 4-(o-chlorophenyl)-1-(2-(3-pyridyl)ethyl)-
- IUPAC
- 1-(2-chlorophenyl)-4-(2-pyridin-3-ylethyl)piperazine
Names & synonyms
Piperazine, 4-(o-chlorophenyl)-1-(2-(3-pyridyl)ethyl)-1-(2-(3'-Pyridyl)ethyl)-4-(2'-chlorophenyl)piperazine58013-17-5DTXSID00206742RefChem:372663DTXCID30129233SCHEMBL83208871-(2-chlorophenyl)-4-[2-(pyridin-3-yl)ethyl]piperazine
Database identifiers
- CAS
58013-17-5- PubChem CID
- 3045009
- DTXSID
DTXSID00206742- Nikkaji
- J117.761C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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