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2-(2-Methylphenyl)-1-piperidin-4-ylethanone

HCID 22248476
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Basic information

Standard SMILES
Cc1ccccc1CC(=O)C1CCNCC1
InChIKey
PSTYGCIFGBGGIK-UHFFFAOYSA-N
Molecular formula
C14H19NO
Average molar mass
217.31 g/mol

Names & identifiers

Preferred name
2-(2-Methylphenyl)-1-piperidin-4-ylethanone
IUPAC
2-(2-methylphenyl)-1-piperidin-4-ylethanone

Names & synonyms

SCHEMBL12748422

Database identifiers

PubChem CID
22248476

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
233

Related reactions

2 records
New reaction record
HRID 120630 reaction equation
HRID 120630As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 199499 reaction equation
HRID 199499As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes