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Details

Stereochemistry RACEMIC
Molecular Formula C13H20N2.2ClH
Molecular Weight 277.233
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyl-4-methylpiperidin-3-amine dihydrochloride, (3R,4R)-rel-

SMILES

Cl.Cl.C[C@@H]1CCN(CC2=CC=CC=C2)C[C@@H]1N

InChI

InChIKey=RXTMEKSWEOMRSX-FZIZHOOBSA-N
InChI=1S/C13H20N2.2ClH/c1-11-7-8-15(10-13(11)14)9-12-5-3-2-4-6-12;;/h2-6,11,13H,7-10,14H2,1H3;2*1H/t11-,13+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C13H20N2
Molecular Weight 204.3113
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:48:41 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:41 GMT 2025
Record UNII
7WQ5P8QMY5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Piperidinamine, 4-methyl-1-(phenylmethyl)-, hydrochloride (1:2), (3R,4R)-rel-
Preferred Name English
1-Benzyl-4-methylpiperidin-3-amine dihydrochloride, (3R,4R)-rel-
Systematic Name English
rel-(3R,4R)-1-Benzyl-4-methylpiperidin-3-amine dihydrochloride
Systematic Name English
Code System Code Type Description
CAS
2241130-58-3
Created by admin on Wed Apr 02 19:48:41 GMT 2025 , Edited by admin on Wed Apr 02 19:48:41 GMT 2025
PRIMARY
PUBCHEM
165718162
Created by admin on Wed Apr 02 19:48:41 GMT 2025 , Edited by admin on Wed Apr 02 19:48:41 GMT 2025
PRIMARY
FDA UNII
7WQ5P8QMY5
Created by admin on Wed Apr 02 19:48:41 GMT 2025 , Edited by admin on Wed Apr 02 19:48:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE