4-IBP

CAT: 0127-BUP10342-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10342-04Size:100 mg

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CAS Number

155798-08-6

Purity

=98%

Smiles

Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1

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

Loading 3D structure...

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

Catalog	Name
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid
IN11625	(4,4′,4′′,4′′′-Tetraaminophthalocyaninato) cobalt