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Compound
[1-[2-(4-Fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
HCID
69736295
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CC1CCN(CCc2ccc(F)cc2)CC1CN
InChIKey
KDTSIMWUDIRPLO-UHFFFAOYSA-N
Molecular formula
C15H23FN2
Average molar mass
250.35 g/mol
Monoisotopic mass
250.1845269
Names & identifiers
Preferred name
[1-[2-(4-Fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
IUPAC
[1-[2-(4-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
Names & synonyms
SCHEMBL6303934
Database identifiers
PubChem CID
69736295
Properties
Computed structural properties
XLogP
2.6
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
239
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
179560
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
667415
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1153673
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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