Basic information
- CAS
101756-47-2- Standard SMILES
O=C(OCC[NH+]1CCCCC1)C(O)(Cc1ccccc1)c1ccccc1.[Cl-]- InChIKey
PSGHVRSSMGXSKM-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.1757714
Names & identifiers
- Preferred name
- 2-(Piperidin-1-yl)ethyl 2-hydroxy-2,3-diphenylpropanoate--hydrogen chloride (1/1)
- IUPAC
- 2-piperidin-1-ium-1-ylethyl 2-hydroxy-2,3-diphenylpropanoate chloride
Names & synonyms
101756-47-2DTXSID609065992-(Piperidin-1-yl)ethyl 2-hydroxy-2,3-diphenylpropanoate--hydrogen chloride (1/1)RefChem:1062002DTXCID201335696alpha-Benzylmandelic acid 2-piperidinoethyl ester hydrochloride2-(1-Piperidyl)ethyl benzylphenylglycolate hydrochlorideMANDELIC ACID, alpha-BENZYL-, 2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
101756-47-2- PubChem CID
- 58870
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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