4-(Piperidin-1-yl)but-2-yn-1-yl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
95441-50-2- Standard SMILES
O=C(OCC#CC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
XVHQNJQDLVSUPT-UHFFFAOYSA-N- Molecular formula
- C23H26ClNO3
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1601214
Names & identifiers
- Preferred name
- 4-(Piperidin-1-yl)but-2-yn-1-yl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- 4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
95441-50-2DTXSID209149984-(Piperidin-1-yl)but-2-yn-1-yl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1070178DTXCID8013439824-Piperidino-2-butynyl benzilic acid hydrochlorideBENZILIC ACID, 4-PIPERIDINO-2-BUTYNYL ESTER, HYDROCHLORIDE4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate chloride4-Piperidino-2-butynyl benzilic acid hydrochloride, BENZILIC ACID, 4-PIPERIDINO-2-BUTYNYL ESTER, HYDROCHLORIDE, 95441-50-2, AC1L1LWM, LS-32517, 1-(4-{[hydroxy(diphenyl)acetyl]oxy}but-2-yn-1-yl)piperidinium chloride, 4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate chloride
Database identifiers
- CAS
95441-50-2- PubChem CID
- 56900
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 510
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Compound notes
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