1-(2-Methoxyphenyl)piperazine
Basic information
- CAS
35386-24-4- Standard SMILES
COc1ccccc1N1CCNCC1- InChIKey
VNZLQLYBRIOLFZ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626313
Overview
1-(2-methoxyphenyl)piperazine is a member of piperazines.
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)piperazine
- IUPAC
- 1-(2-methoxyphenyl)piperazine
- English name
- 1-(2-Methoxyphenyl)piperazine
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
1-(2-Methoxyphenyl)piperazine35386-24-4N-(2-methoxyphenyl)piperazine81NJO1330Ao-methoxyphenylpiperazineDTXSID40188871D-15157RefChem:4224241-(ortho-methoxyphenyl)piperazineDTXCID00111362252-537-71-(2-Methoxyphenyl)-piperazine
Show more names
D 15157AKOS BBS-00003584Uradil impurity 18Urapidil Impurity 6TIMTEC-BB SBB003620RARECHEM AH CK 01262-PiperazinoanisoleUrapidil Impurity CLABOTEST-BB LT00233095
2-MPP1-(o-Methoxyphenyl)piperazinePiperazine, 1-(2-methoxyphenyl)-1-(2-Methoxy-phenyl)-piperazineMFCD000059582-methoxyphenylpiperazine1-(2-methoxy phenyl) piperazine1-(o-Anisyl)piperazine
Database identifiers
- CAS
35386-24-4- PubChem CID
- 1346
- DTXSID
DTXSID40188871- ChEMBL
CHEMBL9666- ChEBI
CHEBI:104020- UNII
- 81NJO1330A
- EC Number
- 252-537-7
- Nikkaji
- J149.916E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Piperazines (Stimulant)
LogP1.09
Collision Cross Section140.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 35 · 35-40 °C (lit.)
- Boiling point
- 130 · 130-133 °C/0.1 mmHg (lit.)
- Density
- 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.575(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid After Melting
- pka
- 8.98 · 8.98±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 12.3% (7 of 57) of reports.
Danger
H314 (84.2%): 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 57 reports by companies from 9 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20083
Hazard Classes and CategoriesSkin Corr. 1B (84.2%)
Safety data
- F
- 3-10
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3263 8/PG 3
- hs_code
- 29349990
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-28A-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
UsesA piperazine derivative and a selective antagonist at D3 receptors that influences the expression of cocaine-induced conditioned place preference (CPP).
UsesIt is used as pharmaceutical intermediate. N-alkylated 1-(2-methyoxyphenyl)piperazines markedly improved affinity and selectivity of the dopamine D3 receptor which is recognized as a potential therapeutic target for the treatment of various neurological and psychiatric disorders.
Uses1-(2-Methoxyphenyl)piperazine can be used:To functionalize pyrazolylvinyl ketones via Aza-Michael addition reaction.To prepare cyclic amine substituted Trger′s base derivatives.To prepare functionalized bis(mercaptoimidazolyl)borates by reacting with the activated ester, [(1-methyl-2-mercaptoimidazol-5-yl)carbonyl]succinimide.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
586 records
Compound notes
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