1- (2-Phenylethyl) piperazine

CAT: 0127-OR6849Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR6849Size:1 Each

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CAS Number

5321-49-3

Synonyms

[2- (Piperazin-1-yl) ethyl]benzene

MDL Number

MFCD00040740

Purity

98%

Smiles

C(Cc1ccccc1)N2CCNCC2

Chemical Information

1-Phenethylpiperazine

CAS Number	5321-49-3
PubChem CID	79214
IUPAC Name	1-(2-phenylethyl)piperazine
Molecular Formula	C12H18N2
Molecular Weight	190.28
XLogP	1.6
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	146

SMILES

C1CN(CCN1)CCC2=CC=CC=C2

InChI

InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2

InChIKey

LKUAPSRIYZLAAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5321-49-3

CID: 79214

Formula: C12H18N2

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	190.146998583
Monoisotopic Mass	190.146998583
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	146
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
OR33585-01	2- (2-Phenylethyl) piperazine
OR6850-01	1- (1-Phenylethyl) piperazine
OR1075857	1- (1-Phenylethyl) piperazine hydrochloride
OR12704	4- (2-Amino-1-phenylethyl) piperazine, N1-BOC protected
OR17918	4-Hydroxy-1- (2-phenylethyl) piperidine
OR322443	4- (2-Phenylethyl) piperidine
OR1045111-01	2- (1-Phenylethyl) phenol
OR6881-01	1- (2-Phenylethyl) homopiperazine
OR920861-01	1-Methyl-2-phenylethyl acetate
OR86383	(2-Amino-1-phenylethyl) diethylamine

Catalog	Name
FP46415-01	1- (2-Phenylethyl) piperazine
TRC-P321325-100G	1-(2-Phenylethyl)piperazine
sc-258389A	1- (1-Phenylethyl) piperazine
sc-297170	1- (2-Phenylethyl) piperazine-2,6-dione
BTB19524-01	1- (2,2,2-Trifluoro-1-phenylethyl) piperazine
GTR19267503-01	1- (1-Phenylethyl) piperazine hydrochloride
sc-272188A	(R) -1- (1-Phenylethyl) piperazine Hydrochloride
266776-01	Tert-Butyl-4- (2-amino-1-phenylethyl) piperazine carboxylate
sc-345032A	1- (chloroacetyl) -4- (1-phenylethyl) piperazine hydrochloride
262664-01	1,4-Bis- (2-hydroxy-1-phenylethyl) piperazine-2,5-dione