Basic information
- CAS
397880-89-6- Standard SMILES
CC1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1- InChIKey
CWIBQEWTGXOKHK-UHFFFAOYSA-N- Molecular formula
- C18H27N3O
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.21541249
Names & identifiers
- Preferred name
- 2-(4-Methylpiperidin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
- IUPAC
- 2-(4-methylpiperidin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
Names & synonyms
2-(4-methylpiperidin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone397880-89-6MLS001205847CHEMBL1725118DTXSID001328748HMS1686K22HMS2816K072-(4-Methyl-piperidin-1-yl)-1-(4-phenyl-piperazin-1-yl)-ethanoneSTK710927AKOS000506871CCG-274358SMR000523967
Show more names
SR-01000363668SR-01000363668-12-(4-Methylpiperidin-1-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Database identifiers
- CAS
397880-89-6- PubChem CID
- 950254
- DTXSID
DTXSID001328748- ChEMBL
CHEMBL1725118
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Solubility40.8 [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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