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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22N2
Molecular Weight 218.3379
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyl-N,4-dimethylpiperidin-3-amine, (3R,4R)-

SMILES

CN[C@H]1CN(CC2=CC=CC=C2)CC[C@H]1C

InChI

InChIKey=NVKDDQBZODSEIN-OCCSQVGLSA-N
InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H22N2
Molecular Weight 218.3379
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 18:50:35 GMT 2023
Edited
by admin
on Sat Dec 16 18:50:35 GMT 2023
Record UNII
TJY7EV26LJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzyl-N,4-dimethylpiperidin-3-amine, (3R,4R)-
Systematic Name English
(3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine
Systematic Name English
Tofacitinib Impurity E
Common Name English
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine
Systematic Name English
3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, (3R,4R)-
Systematic Name English
Code System Code Type Description
FDA UNII
TJY7EV26LJ
Created by admin on Sat Dec 16 18:50:35 GMT 2023 , Edited by admin on Sat Dec 16 18:50:35 GMT 2023
PRIMARY
CAS
477600-70-7
Created by admin on Sat Dec 16 18:50:35 GMT 2023 , Edited by admin on Sat Dec 16 18:50:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID70659968
Created by admin on Sat Dec 16 18:50:35 GMT 2023 , Edited by admin on Sat Dec 16 18:50:35 GMT 2023
PRIMARY
PUBCHEM
44630604
Created by admin on Sat Dec 16 18:50:35 GMT 2023 , Edited by admin on Sat Dec 16 18:50:35 GMT 2023
PRIMARY
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