1-[(4-Chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;pyridine-3-carboxylic acid;dihydrochloride
Basic information
- CAS
8064-07-1- Standard SMILES
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl.O=C(O)c1cccnc1- InChIKey
SRMQJEVGXJLBDD-UHFFFAOYSA-N- Molecular formula
- C31H34Cl3N3O2
- Average molar mass
- 587 g/mol
- Monoisotopic mass
- 585.17166
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;pyridine-3-carboxylic acid;dihydrochloride
- IUPAC
- 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;pyridine-3-carboxylic acid;dihydrochloride
Names & synonyms
8064-07-1DTXSID9010013573-Pyridinecarboxylic acid, mixt. with 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)piperazine dihydrochloridePyridine-3-carboxylic acid--1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine--hydrogen chloride (1/1/2)
Database identifiers
- CAS
8064-07-1- PubChem CID
- 165690
- DTXSID
DTXSID901001357
Properties
Computed structural properties
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…