(3-Chlorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
Basic information
- CAS
5953-54-8- Standard SMILES
Cc1ccccc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1- InChIKey
LFXXHMAJFHWLHF-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O
- Average molar mass
- 328.8 g/mol
- Monoisotopic mass
- 328.134241
Names & identifiers
- Preferred name
- (3-Chlorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
- IUPAC
- (3-chlorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
Names & synonyms
5953-54-81-(3-chlorobenzoyl)-4-(2-methylbenzyl)piperazine(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanoneCBMicro_048884Oprea1_205229Oprea1_349121DTXSID90356689STK129419AKOS000552789BIM-0048728.P001AK-968/15362262(3-chlorophenyl)[4-(2-methylbenzyl)piperazin-1-yl]methanone
Show more names
(3-Chlorophenyl){4-[(2-methylphenyl)methyl]piperazin-1-yl}methanone(3-chlorophenyl){4-[(2-methylphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Database identifiers
- CAS
5953-54-8- PubChem CID
- 828779
- DTXSID
DTXSID90356689
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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