Basic information
- CAS
24589-43-3- Standard SMILES
CCCCC(C)(CC)C(=O)OCC[NH+]1CCCCC1.[Cl-]- InChIKey
SGBUYKOVYANKDK-UHFFFAOYSA-N- Molecular formula
- C16H32ClNO2
- Average molar mass
- 305.9 g/mol
- Monoisotopic mass
- 305.212157
Names & identifiers
- Preferred name
- 2-(Piperidin-1-yl)ethyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)
- IUPAC
- 2-piperidin-1-ium-1-ylethyl 2-ethyl-2-methylhexanoate chloride
Names & synonyms
24589-43-3DTXSID109474722-(Piperidin-1-yl)ethyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)RefChem:1062001DTXCID1013757302-Ethyl-2-methylhexanoic acid 2-piperidinoethyl ester hydrochlorideHEXANOIC ACID, 2-ETHYL-2-METHYL-, 2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
24589-43-3- PubChem CID
- 32508
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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