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4-IBP

CAT: 1410-M18082-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M18082-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-IBP is a selective σ1 agonist with a high level of affinity for the σ1 receptor (Ki = 1.7 nM) and a moderate affinity for the σ2 receptor (Ki = 25.2 nM) .
CAS Number
155798-08-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
420.29
Molecular Formula
C19H21IN2O
Notes
Research use only, not for human use.
Receptor
Σ1|σ2

Chemical Information

N-(N-benzylpiperidin-4-yl)-4-iodobenzamide

4-iodo-N-[1-(phenylmethyl)-4-piperidinyl]benzamide is a member of piperidines.

CAS Number155798-08-6
PubChem CID132995
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-iodobenzamide
Molecular FormulaC19H21IN2O
Molecular Weight420.3
XLogP3.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity368
SMILES
C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3
InChI
InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)
InChIKey
HELCSESNNDZLFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CAS: 155798-08-6
CID: 132995
Formula: C19H21IN2O
MW: 420.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass420.06986
Monoisotopic Mass420.06986
Topological Polar Surface Area32.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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