3-(2-Methylpiperidin-1-yl)propyl (4-methoxyphenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
66902-57-6- Standard SMILES
COc1ccc(CC(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
COYUZNGFWOBUSU-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO3
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1757714
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl (4-methoxyphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-methoxyphenyl)acetate chloride
Names & synonyms
66902-57-6DTXSID509855353-(2-Methylpiperidin-1-yl)propyl (4-methoxyphenyl)acetate--hydrogen chloride (1/1)RefChem:1066557DTXCID601412727p-Methoxyphenylacetic acid 3-(2-methylpiperidino)propyl ester hydrochlorideACETIC ACID, p-METHOXYPHENYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66902-57-6- PubChem CID
- 48272
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
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Related reactions
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Compound notes
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