Basic information
- CAS
260428-23-7- Standard SMILES
O=C(c1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1- InChIKey
NGALFKPFMUEMSJ-UHFFFAOYSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.15214353
Names & identifiers
- Preferred name
- Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone
- IUPAC
- 1,3-benzodioxol-5-yl-(4-benzylpiperidin-1-yl)methanone
Names & synonyms
260428-23-7Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanonePiperidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-(phenylmethyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-4-benzylpiperidine(2H-1,3-Benzodioxol-5-yl)(4-benzylpiperidin-1-yl)methanone1,3-benzodioxol-5-yl-(4-benzylpiperidin-1-yl)methanoneCBMicro_023629Cambridge id 5544331Oprea1_742866MLS001043211SCHEMBL3456555CHEMBL1904044
Show more names
DTXSID70349973HMS2794K20CCG-10818STK395989AKOS003239742EBC-611030SMR000425356ST043245
Database identifiers
- CAS
260428-23-7- PubChem CID
- 669592
- DTXSID
DTXSID70349973- ChEMBL
CHEMBL1904044
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Solubility41.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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