Basic information
- CAS
62270-82-0- Standard SMILES
CCCC(=O)C1(c2cccc(Cl)c2)CCN(CCCN2CCN(C)CC2)CC1.Cl.Cl.Cl- InChIKey
MBEZLFZGNHSRRB-UHFFFAOYSA-N- Molecular formula
- C23H39Cl4N3O
- Average molar mass
- 515.4 g/mol
- Monoisotopic mass
- 513.184724
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-, trihydrochloride
- IUPAC
- 1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]butan-1-one;trihydrochloride
Names & synonyms
62270-82-01-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-, trihydrochlorideDTXSID102113421-(4-(3-Chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-1-butanone 3HClRefChem:228837DTXCID101338331-{4-(3-Chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl}butan-1-one--hydrogen chloride (1/3)
Database identifiers
- CAS
62270-82-0- PubChem CID
- 43987
- DTXSID
DTXSID10211342
Properties
Computed structural properties
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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