Basic information
- CAS
5991-08-2- Standard SMILES
COc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1- InChIKey
BRELBZWERHSHCT-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O2
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.1291556
Names & identifiers
- Preferred name
- [4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
- IUPAC
- [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
Names & synonyms
5991-08-21-(3-chlorobenzyl)-4-(4-methoxybenzoyl)piperazine[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanoneMixCom6_002187CBMicro_040203Oprea1_265001Oprea1_606062DTXSID20356692[4-(3-chlorobenzyl)piperazin-1-yl](4-methoxyphenyl)methanoneSTK127581AKOS003650962CCG-327871
Show more names
BIM-0040029.P001AK-968/15362073Z52130563{4-[(3-Chlorophenyl)methyl]piperazin-1-yl}(4-methoxyphenyl)methanone{4-[(3-chlorophenyl)methyl]piperazin-1-yl}(4-methoxyphenyl)methanone--oxalic acid (1/1)
Database identifiers
- CAS
5991-08-2- PubChem CID
- 828819
- DTXSID
DTXSID20356692
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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