1-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, dihydrochloride
Basic information
- CAS
40502-68-9- Standard SMILES
CCCCC(O)(c1ccccc1)C(Cc1ccccc1)CN1CCN(C)CC1.Cl.Cl- InChIKey
QXOKTPHGJNCWRB-UHFFFAOYSA-N- Molecular formula
- C25H38Cl2N2O
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 452.2361192
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, dihydrochloride
- IUPAC
- 2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylheptan-3-ol;dihydrochloride
Names & synonyms
40502-68-91-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, dihydrochlorideRefChem:10566871-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol dihydrochloride1-Propanol, 1-butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-, dihydrochloridebeta-Benzyl-alpha-butyl-4-methyl-alpha-phenyl-1-piperazinepropanol dihydrochlorideDTXSID609608982-Benzyl-1-(4-methylpiperazin-1-yl)-3-phenylheptan-3-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
40502-68-9- PubChem CID
- 218340
- DTXSID
DTXSID60960898
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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