3-[(R)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol (Q27165296)

CHEMBL489621 (English)

3-[(S)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol

9 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆FNO₃

1 reference

CHEMBL489621 (English)

9 October 2016

canonical SMILES

COC1=C(C=CC=C1O)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)O

1 reference

CHEMBL489621 (English)

9 October 2016

isomeric SMILES

COC1=C(C=CC=C1O)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O

1 reference

CHEMBL489621 (English)

InChI=1S/C21H26FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,20,24-25H,9-14H2,1H3/t20-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEMBL489621 (English)

DVDGOKMQDYFKFY-HXUWFJFHSA-N

9 October 2016

InChIKey

2 references

CHEMBL489621 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(R)-{1-[2-(4-Fluorophenyl)ethyl]-4-piperidinyl}(hydroxy)methyl]-2-methoxyphenol (English)

9 October 2016

1 reference

CHEMBL489621 (English)

9 October 2016

ChEBI ID

93603

mapping relation type

1 reference

3-[(R)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol (English)

9 October 2016

1 reference