Basic information
- CAS
70740-81-7- Standard SMILES
CCOC(=O)C1(c2ccc(O)cc2)CC[NH+](C)CC1.[Cl-]- InChIKey
STLKRMSTPKHCGH-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO3
- Average molar mass
- 299.79 g/mol
- Monoisotopic mass
- 299.1288213
Names & identifiers
- Preferred name
- Ethyl 4-(4-hydroxyphenyl)-1-methylpiperidine-4-carboxylate--hydrogen chloride (1/1)
- IUPAC
- ethyl 4-(4-hydroxyphenyl)-1-methylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
DTXSID20990994Ethyl 4-(4-hydroxyphenyl)-1-methylpiperidine-4-carboxylate--hydrogen chloride (1/1)RefChem:1084906DTXCID90141808170740-81-7ISONIPECOTIC ACID, 4-(p-HYDROXYPHENYL)-1-METHYL-, ETHYL ESTER, HYDROCHLORIDE4-p-Hydroxyphenyl-4-carbethoxy-1-methylpiperidine hydrochloride4-Piperidinecarboxylic acid, 4-(p-hydroxyphenyl)-1-methyl-, ethyl ester, hydrochloride
Database identifiers
- CAS
70740-81-7- PubChem CID
- 51160
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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