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1-Benzylpiperazine

CAT: 0926-FB137845-01Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-FB137845-01Size:0.25 g
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CAS Number
2759-28-6
MDL Number
MFCD00005967
Smiles
C1CN (CCN1) CC2=CC=CC=C2
Molecular Formula
C11H16N2
Molecular Weight
176.26 g/mol
Controlled
Yes

Chemical Information

1-Benzylpiperazine

1-benzylpiperazine is a tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a serotonergic agonist used as a recreational drug. It has a role as a psychotropic drug, a xenobiotic, a serotonergic agonist and an environmental contaminant.

CAS Number2759-28-6
PubChem CID75994
IUPAC Name1-benzylpiperazine
Molecular FormulaC11H16N2
Molecular Weight176.26
XLogP1.3
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity135
SMILES
C1CN(CCN1)CC2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
InChIKey
IQXXEPZFOOTTBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzylpiperazine
CAS: 2759-28-6
CID: 75994
Formula: C11H16N2
MW: 176.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.26
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass176.131348519
Monoisotopic Mass176.131348519
Topological Polar Surface Area15.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity135
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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