Basic information
- CAS
40502-69-0- Standard SMILES
CCC(=O)OC(C)(c1ccccc1)C(Cc1ccccc1)CN1CCN(C)CC1.Cl.Cl- InChIKey
TYQZCCYTOUIEMV-UHFFFAOYSA-N- Molecular formula
- C25H36Cl2N2O2
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 466.2153838
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, beta-benzyl-alpha,4-dimethyl-alpha-phenyl-, propionate (ester), dihydrochloride
- IUPAC
- [3-benzyl-4-(4-methylpiperazin-1-yl)-2-phenylbutan-2-yl] propanoate;dihydrochloride
Names & synonyms
40502-69-01,3-Diphenyl-1-methyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol propionate dihydrochloride1-Piperazinepropanol, beta-benzyl-alpha,4-dimethyl-alpha-phenyl-, propionate (ester), dihydrochlorideRefChem:234091DTXSID209608993-[(4-Methylpiperazin-1-yl)methyl]-2,4-diphenylbutan-2-yl propanoate--hydrogen chloride (1/2)
Database identifiers
- CAS
40502-69-0- PubChem CID
- 218342
- DTXSID
DTXSID20960899
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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