(Q72476030)

English

(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

chemical compound

(3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

224.14451886809 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₃H₁₈FNO

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canonical SMILES

C[NH+]1CCC(c2ccc(F)cc2)C(CO)C1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[NH+]1CC[C@H]([C@@H](C1)CO)C2=CC=C(C=C2)F

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Identifiers

InChI

InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/p+1/t11-,13-/m0/s1

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InChIKey

CXRHUYYZISIIMT-AAEUAGOBSA-O

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26 December 2021

matched by identifier from

InChIKey

CXRHUYYZISIIMT-AAEUAGOBSA-O

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DSSTOX compound identifier

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(Q72476030)

(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

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