4- (4-Bromophenyl) piperidin-2-one

CAT: 0127-OR1001159-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1001159-01Size:100 mg

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CAS Number

1893051-68-7

Purity

98%

Smiles

BrC1=CC=C(C(CCN2)CC2=O)C=C1

Chemical Information

4-(4-Bromophenyl)piperidin-2-one

CAS Number	1893051-68-7
PubChem CID	117209353
IUPAC Name	4-(4-bromophenyl)piperidin-2-one
Molecular Formula	C11H12BrNO
Molecular Weight	254.12
XLogP	2
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	211

SMILES

C1CNC(=O)CC1C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrNO/c12-10-3-1-8(2-4-10)9-5-6-13-11(14)7-9/h1-4,9H,5-7H2,(H,13,14)

InChIKey

ADZNIFCNDOFVTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1893051-68-7

CID: 117209353

Formula: C11H12BrNO

MW: 254.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.12
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	253.01023
Monoisotopic Mass	253.01023
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1072209-01	3- (4-Bromophenyl) piperidin-2-one
OR1036900	1- (4-Bromophenyl) piperidin-2-one
OR1045879-01	1- (4-Bromophenyl) piperidin-4-one
OR1052021-01	1- (3-Bromophenyl) piperidin-4-one
OR321518-01	3- (2-Bromophenyl) piperidin-2-one
OR321517-01	3- (3-Bromophenyl) piperidin-2-one
OR1038066-01	1- (3-Bromophenyl) piperidin-2-one
OR1065112-01	1- (4-Bromophenyl) piperidin-4-ol
OR1048547-01	4- (3-Bromophenyl) piperidin-4-ol
OR96079-01	4- (4-Bromophenyl) piperidin-4-ol hydrochloride

Catalog	Name
GTR19268226-01	4- (4-Bromophenyl) piperidin-2-one
CBA47143-01	1- (4-Bromophenyl) piperidin-2-one
SKA88078-01	6- (4-Bromophenyl) piperidin-2-one
TRC-B698503-100MG	1-(4-Bromophenyl)piperidin-2-one
sc-287018A	1- (4-Bromophenyl) piperidin-4-one
RQB77011-01	1-[ (2-Bromophenyl) methyl]piperidin-4-one
407506-01	1- (2-Bromophenyl) piperidin-2-one
407779-01	1- (3-Bromophenyl) piperidin-4-one
407778-01	1- (3-Bromophenyl) piperidin-2-one
ZZB02672-01	1-[ (3-Bromophenyl) methyl]piperidin-2-one