CAS 2252-63-3|1-(4-fluorophenyl)piperazine|1-(4-Fluorophenyl)piperazine|1-(4-fluorophenyl)piperazine|para-fluorophenylpiperazine|1-(p-Fluorophenyl)piperazine|p-Fluorophenylpiperazine|N-(4-Fluorophen...

Molecular Formula

C₁₀H₁₃FN₂

Molecular Mass

180.2220232

Exact Mass

180.10627665

InChI

InChI=1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

InChIKey

AVJKDKWRVSSJPK-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)N1CCNCC1

Isomeric Smiles

N1(c2ccc(cc2)F)CCNCC1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3196967

LogD (pH = 7.4)

0.19442567

Log P

1.6880633

Molar Refractivity

51.4584

Polarizability

19.28306

Polar Surface Area

15.27

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

75260

IUPAC Traditional name

1-(4-fluorophenyl)piperazine para-fluorophenylpiperazine

Synonyms

1-(4-Fluorophenyl)piperazine1-(p-Fluorophenyl)piperazineN-(4-Fluorophenyl)piperazinep-FluorophenylpiperazineN-(p-Fluorophenyl)piperazine1-(4-氟苯基)哌嗪1-(4-Fluorophenyl)piperazine4-(1-Piperazinyl)fluorobenzene

IUPAC name

1-(4-fluorophenyl)piperazine

MDL Number

CAS Number

Beilstein Number

PubChem SID

MSDS Link

TSCA Listed

false

否

Storage Warning

IRRITANT

Air Sensitive

German water hazard class

GHS Precautionary statements

P261-P305+P351+P338

P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

GHS Hazard statements

H302-H315-H319-H335

H301-H314

European Hazard Symbols

Harmful (Xn)

Toxic (T)

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

GHS Signal Word

Warning

Risk Statements

22-36/37/38

25-34

Safety Statements

26-36/37/39-45

Storage Condition

Refrigerator

Hazard Class

Packing Group

III

UN Number

UN2923

Product Information

Purity

95+%

98%

Empirical Formula (Hill Notation)

C10H13FN2

Certificate of Analysis

Download link

Physical Property

Pharmacology Properties

Gene Information

rat ... Chrnb2(54239)

No Data Available

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No Data Available

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Sigma Aldrich

191337

Packaging
10, 50 g in glass bottle

TRC

F595795

1-(4-Fluorophenyl)piperazine is a major metabolite of Niaparazine, a sedative, hypnotic drug. Metabolites of Niaprazine occurred by N-dealkylation, N-dearylation, aromatic hydroxylation and N-oxidation.

From Data Sources

• Antia, U., et al.: J. Pharm. Pharmac., 61, 877 (2009)