4-Piperidinol, 1-methyl-4-phenyl-, benzoate, hydrochloride
Basic information
- CAS
38855-54-8- Standard SMILES
CN1CCC(OC(=O)c2ccccc2)(c2ccccc2)CC1.Cl- InChIKey
QSHASOHWSKBQAS-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1339066
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-methyl-4-phenyl-, benzoate, hydrochloride
- IUPAC
- (1-methyl-4-phenylpiperidin-4-yl) benzoate;hydrochloride
Names & synonyms
NU-8494-Piperidinol, 1-methyl-4-phenyl-, benzoate, hydrochloride38855-54-81-Methyl-4-phenyl-4-benzoyloxypiperidine hydrochlorideDTXSID70192108RefChem:295797DTXCID401145991-Methyl-4-phenylpiperidin-4-yl benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
38855-54-8- PubChem CID
- 217407
- DTXSID
DTXSID70192108
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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