1-Piperidineacetic acid, I+/--phenyl-, methyl ester, hydrochloride (1:1)
Basic information
- CAS
4412-19-5- Standard SMILES
COC(=O)C(c1ccccc1)N1CCCCC1.Cl- InChIKey
PDFYHZNGYUJTRS-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- 1-Piperidineacetic acid, I+/--phenyl-, methyl ester, hydrochloride (1:1)
- IUPAC
- methyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
Names & synonyms
SCHEMBL5606289DTXSID0013793411-Piperidineacetic acid, I+/--phenyl-, methyl ester, hydrochloride (1:1)4412-19-5
Database identifiers
- CAS
4412-19-5- PubChem CID
- 69503579
- DTXSID
DTXSID001379341
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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