3-(4-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)
Basic information
- CAS
67031-89-4- Standard SMILES
CC1CC[NH+](C(C)CCOC(=O)c2ccccc2)CC1.[Cl-]- InChIKey
UWMKFJUKMZDRHF-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 3-(4-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(4-methylpiperidin-1-ium-1-yl)butyl benzoate chloride
Names & synonyms
67031-89-4DTXSID909859383-(4-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)RefChem:1066910DTXCID001413127BENZOIC ACID, 3-(4-METHYLPIPERIDINO)BUTYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-89-4- PubChem CID
- 48956
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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