Mandelic acid, alpha-cyclopentyl-, (1-methyl-4-piperidyl)methyl ester, hydrochloride
Basic information
- CAS
101710-86-5- Standard SMILES
C[NH+]1CCC(COC(=O)C(O)(c2ccccc2)C2CCCC2)CC1.[Cl-]- InChIKey
SCVMNXJBRXSTTD-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclopentyl-, (1-methyl-4-piperidyl)methyl ester, hydrochloride
- IUPAC
- (1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-86-5Mandelic acid, alpha-cyclopentyl-, (1-methyl-4-piperidyl)methyl ester, hydrochlorideRefChem:1088810alpha-Cyclopentylmandelic acid (1-methyl-4-piperidyl)methyl ester hydrochloride4-(1-Methyl-1,2,3,6-tetrahydropyridine)methyl alpha-cyclopentyl-alpha-phenylglycolate HCl
Database identifiers
- CAS
101710-86-5- PubChem CID
- 58788
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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