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4-IBP

CAT: 0931-T4596-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T4596-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155798-08-6
Target
Sigma receptor, Apoptosis, Autophagy
Related Pathways
Apoptosis, Autophagy, GPCR/G Protein
Purity
0.9912
Bioactivity
4-IBP is a selective σ1 agonist with high affinity for the σ1 receptor (Ki = 1.7 nM) and moderate affinity for the σ2 receptor (Ki = 25.2 nM) .
Smiles
Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
Molecular Formula
C19H21IN2O
Molecular Weight
420.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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