Mandelic acid, alpha-propyl-, 1-ethyl-3-piperidyl ester
Basic information
- CAS
63917-17-9- Standard SMILES
CCCC(O)(C(=O)OC1CCCN(CC)C1)c1ccccc1- InChIKey
UUCAQGDHTXMZSL-UHFFFAOYSA-N- Molecular formula
- C18H27NO3
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.19909372
Names & identifiers
- Preferred name
- Mandelic acid, alpha-propyl-, 1-ethyl-3-piperidyl ester
- IUPAC
- (1-ethylpiperidin-3-yl) 2-hydroxy-2-phenylpentanoate
- English name
- α-Propyl-α-hydroxybenzeneacetic acid 1-ethyl-3-piperidinyl ester
- Molecular formula
- C18H27NO3
- Molecular weight
- 305.41
Names & synonyms
63917-17-9MANDELIC ACID, alpha-PROPYL-, 1-ETHYL-3-PIPERIDYL ESTERRefChem:1088823JB 3301-Ethyl-3-piperidyl-alpha-propyl mandelateSCHEMBL298544831-ETHYLPIPERIDIN-3-YL 2-HYDROXY-2-PHENYLPENTANOATEDTXSID20981049alpha-propyl-alpha-hydroxybenzeneacetic acid 1-ethyl-3-piperidinyl esterDB-321891JB-330α-Propyl-α-hydroxybenzeneacetic acid 1-ethyl-3-piperidinyl ester
Show more names
Benzeneacetic acid, α-hydroxy-α-propyl-, 1-ethyl-3-piperidinyl ester
Database identifiers
- CAS
63917-17-9- PubChem CID
- 45268
- DTXSID
DTXSID20981049- Nikkaji
- J147.728E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
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Related reactions
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Compound notes
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