3-(1-Phenylpiperidin-4-yl)propyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
15037-49-7- Standard SMILES
O=C(OCCCC1CC[NH+](c2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1.[Cl-]- InChIKey
KEMJRHORYCWEJC-UHFFFAOYSA-N- Molecular formula
- C27H36ClNO3
- Average molar mass
- 458 g/mol
- Monoisotopic mass
- 457.2383717
Names & identifiers
- Preferred name
- 3-(1-Phenylpiperidin-4-yl)propyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- 3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
15037-49-7DTXSID909339193-(1-Phenylpiperidin-4-yl)propyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1066408DTXCID801362574alpha-Cyclopentylmandelic acid (3-(4-phenylpiperidino)propyl) ester hydrochlorideMandelic acid, alpha-cyclopentyl-, 3-(4-phenylpiperidino)propyl ester, hydrochloride
Database identifiers
- CAS
15037-49-7- PubChem CID
- 27004
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 541
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Compound notes
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