1-Piperazinepropionic acid, 4-(3-(diphenylmethoxy)propyl)-, ethyl ester, dihydrochloride
Basic information
- CAS
61897-38-9- Standard SMILES
CCOC(=O)CCN1CCN(CCCOC(c2ccccc2)c2ccccc2)CC1.Cl.Cl- InChIKey
XCHLBVHFUKMRBU-UHFFFAOYSA-N- Molecular formula
- C25H36Cl2N2O3
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 482.2102984
Names & identifiers
- Preferred name
- 1-Piperazinepropionic acid, 4-(3-(diphenylmethoxy)propyl)-, ethyl ester, dihydrochloride
- IUPAC
- ethyl 3-[4-(3-benzhydryloxypropyl)piperazin-1-yl]propanoate;dihydrochloride
Names & synonyms
1-Piperazinepropionic acid, 4-(3-(diphenylmethoxy)propyl)-, ethyl ester, dihydrochloride4-(3-(Diphenylmethoxy)propyl)-1-piperazinepropionic acid ethyl ester dihydrochloride61897-38-9DTXSID50210915RefChem:234111DTXCID80133406Ethyl 3-{4-[3-(diphenylmethoxy)propyl]piperazin-1-yl}propanoate--hydrogen chloride (1/2)
Database identifiers
- CAS
61897-38-9- PubChem CID
- 3046271
- DTXSID
DTXSID50210915
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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