Basic information
- CAS
883467-63-8- Standard SMILES
Cc1[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1C- InChIKey
MDDVQTOVURPPAA-UHFFFAOYSA-N- Molecular formula
- C23H26N2O
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.20451346
Names & identifiers
- Preferred name
- (4-benzylpiperidin-1-yl)(2,3-dimethyl-1H-indol-5-yl)methanone
- IUPAC
- (4-benzylpiperidin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
Names & synonyms
(4-benzylpiperidin-1-yl)(2,3-dimethyl-1H-indol-5-yl)methanone(4-benzylpiperidin-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone883467-63-8MLS001216014CHEMBL1350164DTXSID201328487HMS2863C19STK612061AKOS002913095SMR000544666Z30160756
Database identifiers
- CAS
883467-63-8- PubChem CID
- 8070544
- DTXSID
DTXSID201328487- ChEMBL
CHEMBL1350164
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
Solubility2.4 [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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