2-[4-(2-Chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate--hydrogen chloride (1/1)
Basic information
- CAS
96128-90-4- Standard SMILES
CC(C)Cc1ccc(C(C)C(=O)OCCN2CCN(c3ccccc3Cl)CC2)cc1.Cl- InChIKey
BYDNBFZUFOWKEY-UHFFFAOYSA-N- Molecular formula
- C25H34Cl2N2O2
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 464.1997337
Names & identifiers
- Preferred name
- 2-[4-(2-Chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate--hydrogen chloride (1/1)
- IUPAC
- 2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
Names & synonyms
DTXSID709146452-[4-(2-Chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
96128-90-4- PubChem CID
- 65842
- DTXSID
DTXSID70914645
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 513
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Compound notes
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