1-(4-Methoxybenzoyl)-piperazine

HCID 2736724

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 94747-49-6
Standard SMILES: COc1ccc(C(=O)N2CCNCC2)cc1
InChIKey: AWNXKUKDGIDDBE-UHFFFAOYSA-N
Molecular formula: C12H16N2O2
Average molar mass: 220.27 g/mol
Monoisotopic mass: 220.12117775

Names & identifiers

Preferred name: 1-(4-Methoxybenzoyl)-piperazine
IUPAC: (4-methoxyphenyl)-piperazin-1-ylmethanone
English name: 1-(4-METHOXYBENZOYL)-PIPERAZINE
Molecular formula: C12H16N2O2
Molecular weight: 220.27

Names & synonyms

94747-49-61-(4-Methoxybenzoyl)-piperazineDTXSID30371553RefChem:225276DTXCID503225871-(4-methoxybenzoyl)piperazine(4-methoxyphenyl)(piperazin-1-yl)methanoneMFCD02256020(4-methoxyphenyl)-piperazin-1-ylmethanonePiperazine, 1-(4-methoxybenzoyl)-1-[(4-Methoxyphenyl)Carbonyl]PiperazineOprea1_192551

Show more names

CHEMBRDG-BB 40040811-(4-Methoxybenzoyl)-piperazi1-(4-methoxybenzoyl)piperazine CF3COOHMethanone, (4-methoxyphenyl)-1-piperazinyl-(4-METHOXYPHENYL)(PIPERAZIN-1-YL) METHANONE1-(4-methoxybenzoyl)piperazine hydrochloride1-(4-methoxybenzoyl)piperazine(SALTDATA: CF3COOH)(4-methoxyphenyl)-(1-piperazinyl)methanone hydrochloride

METHANONE,(4-METHOXYPHENYL)-1-PIPERAZINYL-SCHEMBL208986SCHEMBL2094842N-(4-methoxybenzoyl)-piperazineAWNXKUKDGIDDBE-UHFFFAOYSA-NAB2892GS3252STL183864

Database identifiers

CAS: 94747-49-6
PubChem CID: 2736724
DTXSID: DTXSID30371553
EC Number: 674-497-3
Nikkaji: J1.298.403K

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 231

Physicochemical properties

Boiling point: 140 °C · 140°C
Density: 1.132 · 1.132±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 8.41 · 8.41±0.10(Predicted)
CAS DataBase Reference: 94747 · 94747-49-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Danger
Hazard statements: 315 · H315-H319-H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
Hazard Note: Irritant
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933599590
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS07,GHS02
hazard_code: Xi,Xn
hazard_note: Irritant
Hazard statements: H315-H319-H225
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235