1- (4-Ethynylphenyl) piperidine

CAT: 0127-OR1032596-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1032596-01Size:100 mg

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CAS Number

41876-66-8

Purity

98%

Smiles

C#CC1=CC=C(C=C1)N2CCCCC2

Chemical Information

1-(4-Ethynylphenyl)piperidine

CAS Number	41876-66-8
PubChem CID	12249157
IUPAC Name	1-(4-ethynylphenyl)piperidine
Molecular Formula	C13H15N
Molecular Weight	185.26
XLogP	3.2
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	211

SMILES

C#CC1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C13H15N/c1-2-12-6-8-13(9-7-12)14-10-4-3-5-11-14/h1,6-9H,3-5,10-11H2

InChIKey

HSVTWKBBVMEXGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41876-66-8

CID: 12249157

Formula: C13H15N

MW: 185.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.26
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	185.120449483
Monoisotopic Mass	185.120449483
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211
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
OR1007280	Tert-Butyl 4- (4-ethynylphenyl) piperidine-1-carboxylate
OR32514-01	1-Acetyl-N- (3-ethynylphenyl) piperidine-4-carboxamide
OR52519	1- (4-Ethynylphenyl) cyclohexanamine
OR72194-01	(4-Ethynylphenyl) trimethylsilane
OR82621-01	4- (4-Ethynylphenyl) pyridine
OR1072391-01	(4-Ethynylphenyl) methanamine
OR1037397-01	(4-Ethynylphenyl) diphenylphosphane
OR12321-01	1- (Piperidin-4-ylcarbonyl) piperidine
OR5745	1- (Piperidin-4-ylmethyl) piperidine
OR1076975	S- (4-Ethynylphenyl) ethanethioate

Catalog	Name
SHC47422-01	4,4-Difluoro-1- (piperidine-4-carbonyl) piperidine
TRC-B450773-750MG	1-(Piperidine-4-carbonyl)piperidine-4-carboxamide
TPD50617-01	4,4-Difluoro-1- (piperidine-4-carbonyl) piperidine hydrochloride
FF59818-01	4- (4-Fluorobenzoyl) piperidine
KLA99501-01	4- (4-Bromobenzenesulfonyl) piperidine
AGA22122-01	4- (4-Fluorobenzenesulfonyl) piperidine
Fr213077-01	4- (4-METHOXYPHENYL) PIPERIDINE
429151-01	4- (4-Fluorobenzyl) piperidine
M3393-31A	4- (4-Methylbenzoyl) -piperidine
sc-261321	4- (4-Aminophenyl) -piperidine