4-Phenyl-1-(phenylmethyl)-4-piperidinecarboxylic acid
Basic information
- CAS
61886-17-7- Standard SMILES
O=C(O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1- InChIKey
RYTBNRKHWAWLPQ-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- 4-Phenyl-1-(phenylmethyl)-4-piperidinecarboxylic acid
- IUPAC
- 1-benzyl-4-phenylpiperidine-4-carboxylic acid
- English name
- 1-benzyl-4-phenylpiperidine-4-carboxylic acid
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
1-Benzyl-4-phenylpiperidine-4-carboxylic acid61886-17-7DTXSID50210874RefChem:1071394DTXCID801333654-Phenyl-1-(phenylmethyl)-4-piperidinecarboxylic acid263-282-6Pethidine EP Impurity FNSC80690EINECS 263-282-6Meperidine Impurity 5Des-Ile12 Tirzepatide
Show more names
Pethidine Hydrochloride Impurity F1-Benzyl-4-phenylpiperidine-4-carboOxytocin Impurity 1 TrifluoroacetatePethidine Hydrochloride EP Impurity F4-Phenyl-1-phenylmethyl-4-piperidinecarboxylic acid1-benzyl-4-phenylpiperidine-4-carboxylic acid(SALTDATA: 0.6H2O)
ChemDiv2_001450Oprea1_127614SCHEMBL27942914-Piperidinecarboxylic acid, 4-phenyl-1-(phenylmethyl)-4-Piperidinecarboxylicacid, 4-phenyl-1-(phenylmethyl)-HMS1373B201-Benzyl-4-phenylisonipecotic acid1-Benzyl-4-phenyl-isonipecotic acid
Database identifiers
- CAS
61886-17-7- PubChem CID
- 96576
- DTXSID
DTXSID50210874- EC Number
- 263-282-6
- Nikkaji
- J306.925G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 285 · 285-286 °C
- Boiling point
- 454.7 · 454.7±45.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- pka
- 3.55 · 3.55±0.20(Predicted)
Related reactions
2 records
Compound notes
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