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Details

Stereochemistry RACEMIC
Molecular Formula C20H23NO4
Molecular Weight 341.4009
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE, TRANS-(±)-

SMILES

COC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC4=C(OCO4)C=C3

InChI

InChIKey=QAQIPFPQZRXDMA-YJBOKZPZSA-N
InChI=1S/C20H23NO4/c1-22-16-4-2-14(3-5-16)18-8-9-21-11-15(18)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18,21H,8-9,11-13H2,1H3/t15-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H23NO4
Molecular Weight 341.4009
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:57:42 GMT 2023
Edited
by admin
on Sat Dec 16 18:57:42 GMT 2023
Record UNII
9SQG6TGD98
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE, TRANS-(±)-
Systematic Name English
TRANS-(±)-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE
Systematic Name English
REL-(3R,4S)-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)-, TRANS-(±)-
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)-, (3R,4S)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
9SQG6TGD98
Created by admin on Sat Dec 16 18:57:42 GMT 2023 , Edited by admin on Sat Dec 16 18:57:42 GMT 2023
PRIMARY
PUBCHEM
67638187
Created by admin on Sat Dec 16 18:57:42 GMT 2023 , Edited by admin on Sat Dec 16 18:57:42 GMT 2023
PRIMARY
CAS
127017-69-0
Created by admin on Sat Dec 16 18:57:42 GMT 2023 , Edited by admin on Sat Dec 16 18:57:42 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE