1-Piperazinepropanol, 4-(diphenylmethyl)-alpha-phenyl-, propanoate (ester)
Basic information
- CAS
149848-09-9- Standard SMILES
CCC(=O)OC(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1- InChIKey
KYZDOONPMHFTHG-UHFFFAOYSA-N- Molecular formula
- C29H34N2O2
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.26202833
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, 4-(diphenylmethyl)-alpha-phenyl-, propanoate (ester)
- IUPAC
- [3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropyl] propanoate
- English name
- [3-(4-benzhydrylpiperazin-1-yl)-1-phenyl-propyl] propanoate
- Molecular formula
- C29H34N2O2
- Molecular weight
- 442.59
Names & synonyms
149848-09-94-(Diphenylmethyl)-alpha-phenyl-1-piperazinepropanol propanoate (ester)1-Piperazinepropanol, 4-(diphenylmethyl)-alpha-phenyl-, propanoate (ester)RefChem:234080[3-(4-benzhydrylpiperazin-1-yl)-1-phenylpropyl] propanoateDTXSID509337783-[4-(Diphenylmethyl)piperazin-1-yl]-1-phenylpropyl propanoate[3-(4-benzhydrylpiperazin-1-yl)-1-phenyl-propyl] propanoate1-Piperazinepropanol, 4-(diphenylmethyl)-α-phenyl-, 1-propanoate
Database identifiers
- CAS
149848-09-9- PubChem CID
- 3073540
- DTXSID
DTXSID50933778- Nikkaji
- J534.840D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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