3-(2-Methylpiperidin-1-yl)propyl (4-butoxyphenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
66827-52-9- Standard SMILES
CCCCOc1ccc(CC(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
GFCJQEMGDHNZNR-UHFFFAOYSA-N- Molecular formula
- C21H34ClNO3
- Average molar mass
- 384 g/mol
- Monoisotopic mass
- 383.2227216
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl (4-butoxyphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-butoxyphenyl)acetate chloride
Names & synonyms
66827-52-9DTXSID809854073-(2-Methylpiperidin-1-yl)propyl (4-butoxyphenyl)acetate--hydrogen chloride (1/1)RefChem:1066556DTXCID701412601p-Butoxyphenylacetic acid 3-(2-methylpiperidino)propyl ester hydrochlorideACETIC ACID, p-BUTOXYPHENYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66827-52-9- PubChem CID
- 48093
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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