1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride
Basic information
- CAS
1877-25-4- Standard SMILES
CCC(C(=O)Oc1c(C)cccc1C)N1CCCCC1.Cl- InChIKey
AJFNJQVEKUQXFD-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 1-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochloride
- IUPAC
- (2,6-dimethylphenyl) 2-piperidin-1-ylbutanoate;hydrochloride
Names & synonyms
1877-25-41-Piperidineacetic acid, alpha-ethyl-, 2,6-xylyl ester, hydrochlorideRefChem:1056736FC 442alpha-Ethyl-1-piperidineacetic acid 2,6-xylyl ester hydrochlorideDTXSID409402342,6-Dimethylphenyl 2-(piperidin-1-yl)butanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
1877-25-4- PubChem CID
- 120928
- DTXSID
DTXSID40940234
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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