1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
63905-81-7- Standard SMILES
CCCC[NH+]1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[Cl-]- InChIKey
VQNAFOJXHZEXDE-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1965069
Names & identifiers
- Preferred name
- 1-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- (1-butylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride
Names & synonyms
63905-81-7DTXSID009808981-Butylpiperidin-4-yl diphenylacetate--hydrogen chloride (1/1)RefChem:1055188DTXCID501408171Diphenylacetic acid, 4-n-butylpiperidyl ester hydrochlorideACETIC ACID, DIPHENYL-, 4-(N-BUTYLPIPERIDYL) ESTER, HYDROCHLORIDE
Database identifiers
- CAS
63905-81-7- PubChem CID
- 45128
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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