(2R,3S)-2,3-Diphenylpiperazine
Basic information
- CAS
81601-99-2- Standard SMILES
c1ccc([C@H]2NCCN[C@H]2c2ccccc2)cc1- InChIKey
NXYCTQXWYWRZDE-IYBDPMFKSA-N- Molecular formula
- C16H18N2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.14699858
Names & identifiers
- Preferred name
- (2R,3S)-2,3-Diphenylpiperazine
- IUPAC
- (2R,3S)-2,3-diphenylpiperazine
- English name
- cis-2,3-Diphenylpiperazine
- Molecular formula
- C16H18N2
- Molecular weight
- 238.33
Names & synonyms
81601-99-2(2R,3S)-2,3-DiphenylpiperazineDTXSID60512917RefChem:206764DTXCID70463724CIS-2,3-DIPHENYLPIPERAZINEVT1001Piperazine, 2,3-diphenyl-, cis- (9CI)
Database identifiers
- CAS
81601-99-2- PubChem CID
- 12917138
- DTXSID
DTXSID60512917
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- Boiling point
- 383.1 · 383.1±37.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.60(Predicted)
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Compound notes
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