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Basic information
- Standard SMILES
CN(Cc1ccccc1)[C@@H]1CCN(CCc2ccc(F)cc2)C[C@H]1CN- InChIKey
YWHZLEAMXFLOGH-IFMALSPDSA-N- Molecular formula
- C22H30FN3
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.24237613
Names & identifiers
- Preferred name
- trans-{3-Aminomethyl-1-[2-(4-fluorophenyl)-ethyl]-piperidin-4-yl}-benzyl-methylamine
- IUPAC
- (3R,4R)-3-(aminomethyl)-N-benzyl-1-[2-(4-fluorophenyl)ethyl]-N-methylpiperidin-4-amine
Names & synonyms
SCHEMBL6305722YWHZLEAMXFLOGH-IFMALSPDSA-Ntrans-{3-Aminomethyl-1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-benzyl-methylaminetrans-{3-aminomethyl-1-[2-(4-fluorophenyl)-ethyl]-piperidin-4-yl}-benzyl-methylamine
Database identifiers
- PubChem CID
- 69736700
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 391
Related reactions
2 records
Compound notes
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