Basic information
- CAS
40502-70-3- Standard SMILES
CN1CCN(CC(Cc2ccccc2)C(O)(c2ccccc2)C2CCCCC2)CC1.Cl.Cl- InChIKey
QUIGPJPZLAEFLL-UHFFFAOYSA-N- Molecular formula
- C27H40Cl2N2O
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 478.2517693
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, beta-benzyl-alpha-cyclohexyl-4-methyl-alpha-phenyl-, dihydrochloride
- IUPAC
- 2-benzyl-1-cyclohexyl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol;dihydrochloride
Names & synonyms
40502-70-3beta-Benzyl-alpha-cyclohexyl-4-methyl-alpha-phenyl-1-piperazinepropanol dihydrochloride1-Piperazinepropanol, beta-benzyl-alpha-cyclohexyl-4-methyl-alpha-phenyl-, dihydrochloride1-Propanol, 1-cyclohexyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-, dihydrochlorideRefChem:234092DTXSID709609001-Cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diphenylpropan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
40502-70-3- PubChem CID
- 218344
- DTXSID
DTXSID70960900
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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