Basic information
- CAS
102585-56-8- Standard SMILES
O=C(OCC[NH+]1CCCCC1)C(c1ccccc1)C1(O)CCCC1.[Cl-]- InChIKey
ZHCPHZLOXBCRAR-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- Acetic acid, 2-(1-hydroxycyclopentyl)-2-phenyl-, 2-piperidinoethyl ester, hydrochloride
- IUPAC
- 2-piperidin-1-ium-1-ylethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride
Names & synonyms
Acetic acid, 2-(1-hydroxycyclopentyl)-2-phenyl-, 2-piperidinoethyl ester, hydrochloride102585-56-8RefChem:10757112-(1-Piperidyl)ethyl (1-hydroxycyclopentyl)phenylacetate hydrochloride
Database identifiers
- CAS
102585-56-8- PubChem CID
- 59613
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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