1-Benzylpiperazine

HCID 178938562CAS 860027-50-5
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Basic information

Standard SMILES
c1ccc(CN2CCNCC2)cc1
InChIKey
IQXXEPZFOOTTBA-UHFFFAOYSA-N
Molecular formula
C11H16N2
Average molar mass
176.26 g/mol

Overview

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.

Names & identifiers

Preferred name
1-Benzylpiperazine
IUPAC
1-benzylpiperazine
English name
1-(Phenylmethyl)piperazine
Molecular formula
C11H16N2
Molecular weight
176.26

Names & synonyms

1-BenzylpiperazineBenzylpiperazine2759-28-6N-benzylpiperazine4-BenzylpiperazinePiperazine, 1-(phenylmethyl)-3UG152ZU0ENSC-40889J149.807JDTXSID0022197CHEBI:83537BZP cpd
Show more names
1-Benzylpiprazine1-(Phenylmethyl)piperazine ISO 9001：2015 REACHPiperazine,1-(phenylmethyl)-, labeled with deuterium (9CI)
RefChem:907515Egyt-2760DTXCID902197220-423-61-(phenylmethyl)piperazine860027-50-5Piperazine, 1-benzyl-1-Benzyl-piperazine

Database identifiers

CAS
860027-50-5
ChEMBL
CHEMBL113600
ChEBI
CHEBI:83537
UNII
3UG152ZU0E
EC Number
220-423-6
Nikkaji
J149.807J

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

Drugs · 3 items

DEA NFLIS-Drug Category -> Piperazines (Stimulant)

DEA Schedule I Controlled Substance -> Stimulants

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Human DrugsPharmaceuticals
Collision Cross Section138.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

DEA schedule I controlled substance

Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18709

Piperazine, 1-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Chemistry & industry

Uses & manufacturing

Use ClassificationPharmaceuticals
General Manufacturing InformationPiperazine, 1-(phenylmethyl)-: ACTIVE
Additional notes · 1 item

DefinitionChEBI: 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 xenobiotic, an environmental contaminant, a psychotropic drug and a serotonergic agonist.

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