Valeric acid, 2,2-dimethyl-, 2-piperidinoethyl ester, hydrochloride
Basic information
- CAS
24589-61-5- Standard SMILES
CCCC(C)(C)C(=O)OCCN1CCCCC1.Cl- InChIKey
FBIHMJAONMMITL-UHFFFAOYSA-N- Molecular formula
- C14H28ClNO2
- Average molar mass
- 277.83 g/mol
- Monoisotopic mass
- 277.1808568
Names & identifiers
- Preferred name
- Valeric acid, 2,2-dimethyl-, 2-piperidinoethyl ester, hydrochloride
- IUPAC
- 2-piperidin-1-ylethyl 2,2-dimethylpentanoate;hydrochloride
Names & synonyms
24589-61-52,2-Dimethylvaleric acid 2-piperidinoethyl ester hydrochlorideValeric acid, 2,2-dimethyl-, 2-piperidinoethyl ester, hydrochlorideDTXSID30179334Pentanoic acid, 2,2-dimethyl-, 2-piperidinoethyl ester, hydrochlorideRefChem:388256DTXCID601018252-(Piperidin-1-yl)ethyl 2,2-dimethylpentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
24589-61-5- PubChem CID
- 212593
- DTXSID
DTXSID30179334
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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