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[1-[2-(3-Methoxyphenyl)ethyl]piperidin-2-yl]methanol

HCID 17818697
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cccc(CCN2CCCCC2CO)c1
InChIKey
JPCTUVFUXXNZPU-UHFFFAOYSA-N
Molecular formula
C15H23NO2
Average molar mass
249.35 g/mol

Names & identifiers

Preferred name
[1-[2-(3-Methoxyphenyl)ethyl]piperidin-2-yl]methanol
IUPAC
[1-[2-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanol

Names & synonyms

SCHEMBL6802079

Database identifiers

PubChem CID
17818697

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
32.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
235

Related reactions

1 records
New reaction record
HRID 675423 reaction equation
HRID 675423As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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