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N-Ethyl-4-(3-(1-methylethoxy)phenyl)piperidine

HCID 23001057
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Basic information

Standard SMILES
CCN1CCC(c2cccc(OC(C)C)c2)CC1
InChIKey
XVAUSFYWQBKYDE-UHFFFAOYSA-N
Molecular formula
C16H25NO
Average molar mass
247.38 g/mol

Names & identifiers

Preferred name
N-Ethyl-4-(3-(1-methylethoxy)phenyl)piperidine
IUPAC
1-ethyl-4-(3-propan-2-yloxyphenyl)piperidine

Names & synonyms

SCHEMBL6654964XVAUSFYWQBKYDE-UHFFFAOYSA-NN-Ethyl-4-(3-(1-methylethoxy)phenyl)piperidine

Database identifiers

PubChem CID
23001057

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
233

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Related reactions

4 records
New reaction record
HRID 185737 reaction equation
HRID 185737As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 397738 reaction equation
HRID 397738As productuspto-grants-2003_08
HRID 397739 reaction equation
HRID 397739As reactantuspto-grants-2003_08
HRID 1569931 reaction equation
HRID 1569931As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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