Basic information
- CAS
36431-84-2- Standard SMILES
CCCCOc1ccc(CC(=O)N2CCN(CCc3ccccc3)CC2)cc1C.Cl- InChIKey
ULXREGDBFVFKMW-UHFFFAOYSA-N- Molecular formula
- C25H35ClN2O2
- Average molar mass
- 431 g/mol
- Monoisotopic mass
- 430.2387061
Names & identifiers
- Preferred name
- Piperazine, 1-((4-butoxy-3-methylphenyl)acetyl)-4-(2-phenylethyl)-, monohydrochloride
- IUPAC
- 2-(4-butoxy-3-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;hydrochloride
Names & synonyms
36431-84-282-01 R & C1-((4-Butoxy-3-methylphenyl)acetyl)-4-(2-phenylethyl)piperazine monohydrochlorideN-(Butoxy-4 methyl-3-phenyl acetyl) N'-phenethyl piperazine chlorhydrate [French]Piperazine, 1-((4-butoxy-3-methylphenyl)acetyl)-4-(2-phenylethyl)-, monohydrochlorideN-(Butoxy-4 methyl-3-phenyl acetyl) N'-phenethyl piperazine chlorhydrateRefChem:371806DTXSID909577712-(4-Butoxy-3-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
36431-84-2- PubChem CID
- 215847
- DTXSID
DTXSID90957771
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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