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CAT: 0926-FA17341-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FA17341-03Size:25 mg
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CAS Number
444912-75-8
Synonyms
(2-Iodophenyl) [1-[ (1-methyl-2-piperidinyl) methyl]-1H-indol-3-yl]methanone;1-[ (N-Methyl-2-piperidinyl) methyl]-3- (2-iodobenzoyl) -1H-in dole
Smiles
CN1CCCCC1CN2C=C (C3=CC=CC=C32) C (=O) C4=CC=CC=C4I
Molecular Formula
C22H23IN2O
Molecular Weight
458.34 g/mol
Controlled
Yes

Chemical Information

1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole

(2-iodophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Cannabimimetic agents substance.

CAS Number444912-75-8
PubChem CID10226340
IUPAC Name(2-iodophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
Molecular FormulaC22H23IN2O
Molecular Weight458.3
XLogP4.9
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity499
SMILES
CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4I
InChI
InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
InChIKey
KSLCYQTUSSEGPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CAS: 444912-75-8
CID: 10226340
Formula: C22H23IN2O
MW: 458.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight458.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass458.08551
Monoisotopic Mass458.08551
Topological Polar Surface Area25.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes