Methyl 4-(2-methylpiperidin-1-yl)butanoate--hydrogen chloride (1/1)
Basic information
- CAS
63867-22-1- Standard SMILES
COC(=O)CCC[NH+]1CCCCC1C.[Cl-]- InChIKey
VTKCJOAQSIVBSX-UHFFFAOYSA-N- Molecular formula
- C11H22ClNO2
- Average molar mass
- 235.75 g/mol
- Monoisotopic mass
- 235.1339066
Names & identifiers
- Preferred name
- Methyl 4-(2-methylpiperidin-1-yl)butanoate--hydrogen chloride (1/1)
- IUPAC
- methyl 4-(2-methylpiperidin-1-ium-1-yl)butanoate chloride
Names & synonyms
63867-22-1DTXSID90980509Methyl 4-(2-methylpiperidin-1-yl)butanoate--hydrogen chloride (1/1)RefChem:1089437DTXCID501407785Methyl-gamma-(2-methylpiperidino)butyrate, hydrochlorideDF 542BUTYRIC ACID, 4-(2-METHYLPIPERIDINO)-, METHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
63867-22-1- PubChem CID
- 44855
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
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Compound notes
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