Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride
Basic information
- CAS
3818-98-2- Standard SMILES
O=C(c1ccccc1)c1ccc2c(c1)OC(C[NH+]1CCCCC1)CO2.[Cl-]- InChIKey
QWVJQOXEEWGUTN-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO3
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1444713
Names & identifiers
- Preferred name
- Ketone, phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl, hydrochloride
- IUPAC
- phenyl-[3-(piperidin-1-ium-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride
Names & synonyms
CT 3570Phenyl 3-(piperidinomethyl)-1,4-benzodioxan-6-yl ketone hydrochlorideChlorhydrate de piperidinomethyl-2 benzoyl-7 benzodioxanne-1,4 [French]KETONE, PHENYL 3-(PIPERIDINOMETHYL)-1,4-BENZODIOXAN-6-YL, HYDROCHLORIDE3818-98-2Chlorhydrate de piperidinomethyl-2 benzoyl-7 benzodioxanne-1,4RefChem:350498
Database identifiers
- CAS
3818-98-2- PubChem CID
- 19673
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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