(1-Methylpiperidin-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate--hydrogen chloride (1/1)
Basic information
- CAS
92956-06-4- Standard SMILES
CC#CC(O)(C(=O)OCC1CC[NH+](C)CC1)c1ccccc1.[Cl-]- InChIKey
UJUVWGIKJDOTSI-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO3
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1444713
Names & identifiers
- Preferred name
- (1-Methylpiperidin-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate--hydrogen chloride (1/1)
- IUPAC
- (1-methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate chloride
Names & synonyms
92956-06-4DTXSID60918839(1-Methylpiperidin-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate--hydrogen chloride (1/1)RefChem:1049292DTXCID401347782(1-Methyl-4-piperidyl)methyl phenyl(1-propynyl)glycolate hydrochlorideMandelic acid, alpha-(1-propynyl)-, (1-methyl-4-piperidyl)methyl ester, hydrochloridealpha-(1-Propynyl)mandelic acid (1-methyl-4-piperidyl)methyl ester hydrochloride
Database identifiers
- CAS
92956-06-4- PubChem CID
- 56498
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
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Related reactions
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Compound notes
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