4-IBP

CAT: 0607-B6433-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-B6433-10Size:10 mg

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Description

σ1 agonist

CAS Number

155798-08-6

Product Name Alternative

N-(1-benzylpiperidin-4-yl)-4-iodobenzamide

Field of Research

GPCR G protein Sigma Receptor

Purity

0.98

Form

White crystalline solid

Solubility

Soluble in DMSO

Smiles

IC1=CC=C(C=C1)C(NC2CCN(CC3=CC=CC=C3)CC2)=O

Molecular Formula

C19H21IN2O

Molecular Weight

420.29

Shipping Conditions

Blue ice

Storage Conditions

Store at -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 Number	155798-08-6
PubChem CID	132995
IUPAC Name	N-(1-benzylpiperidin-4-yl)-4-iodobenzamide
Molecular Formula	C19H21IN2O
Molecular Weight	420.3
XLogP	3.9
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	368

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

CAS: 155798-08-6

CID: 132995

Formula: C19H21IN2O

MW: 420.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.3
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	420.06986
Monoisotopic Mass	420.06986
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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432807-01	4-IBP
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A12314-25	4-IBP 25mg
A12314-10	4-IBP 10mg
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A12314-200	4-IBP 200mg
A12314-50	4-IBP 50mg
HY-100155R	4-IBP (Standard)

4-IBP

Chemical Information

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