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1-(2-Phenylethyl)piperazine

CAT: 0572-TRC-P321325-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P321325-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5321-49-3
Synonyms
1-Phenethylpiperazine; 4-Phenethylpiperazine; N-(2-Phenylethyl)piperazine; N-(β-Phenylethyl)piperazine; N-Phenethylpiperazine
Hazard Statement
Toxic if swallowed; UN number: UN2922; Packing Group: III
Smiles
C=1C=CC(=CC1)CCN2CCNCC2
Molecular Formula
C32 H58 O5 Si
Molecular Weight
550.885
InChI
InChI=1S/C32H58O5Si/c1-21(10-9-15-33)23-11-12-24-28-25(19-27(34)31(23,24)6)30(5)13-14-32(35-16-17-36-32)20-22(30)18-26(28)37-38(7,8)29(2,3)4/h21-28,33-34H,9-20H2,1-8H3/t21?,22-,23?,24-,25?,26+,27-,28?,30-,31+/m0/s1
Additionnal Information
IUPAC name: (5S,7R,10S,12S,13R,14S)-7-[tert-butyl(dimethyl)silyl]oxy-17-(5-hydroxypentan-2-yl)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-12-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Phenethylpiperazine
CAS Number5321-49-3
PubChem CID79214
IUPAC Name1-(2-phenylethyl)piperazine
Molecular FormulaC12H18N2
Molecular Weight190.28
XLogP1.6
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity146
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
2D structure of 1-Phenethylpiperazine
CAS: 5321-49-3
CID: 79214
Formula: C12H18N2
MW: 190.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.28
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass190.146998583
Monoisotopic Mass190.146998583
Topological Polar Surface Area15.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FP46415-011- (2-Phenylethyl) piperazine
OR33585-012- (2-Phenylethyl) piperazine
sc-258389A1- (1-Phenylethyl) piperazine
BTB19524-011- (2,2,2-Trifluoro-1-phenylethyl) piperazine
sc-2971701- (2-Phenylethyl) piperazine-2,6-dione
GTR19267503-011- (1-Phenylethyl) piperazine hydrochloride
sc-272188A(R) -1- (1-Phenylethyl) piperazine Hydrochloride
sc-345032A1- (chloroacetyl) -4- (1-phenylethyl) piperazine hydrochloride
266776-01Tert-Butyl-4- (2-amino-1-phenylethyl) piperazine carboxylate
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