4-(α,α,α-Trifluor-m-tolyl)piperidin-4-ol

4-[3-(Trifluoromethyl)phenyl]-4-piperidinol

HCID 75255CAS 2249-28-7

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Grundinformationen

Standard-SMILES: OC1(c2cccc(C(F)(F)F)c2)CCNCC1
InChIKey: ILKPZCKFWLTEBQ-UHFFFAOYSA-N
Summenformel: C12H14F3NO
Durchschnittliche Molmasse: 245,24 g/mol
Monoisotopische Masse: 245,10274873

Namen und Bezeichner

Bevorzugter Name: 4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
IUPAC: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Lokaler Name: 4-(α,α,α-Trifluor-m-tolyl)piperidin-4-ol
Englischer Name: 4-(3-Trifuoromethyl)phenyl-4-piperidinol
Summenformel: C12H14F3NO
Molmasse: 245.24

Namen und Synonyme

2249-28-74-[3-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDINOL4-[3-(trifluoromethyl)phenyl]piperidin-4-olMFCD000448324-Piperidinol, 4-[3-(trifluoromethyl)phenyl]-4-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperidin-4-ol4-(3-(trifluoromethyl)phenyl)piperidin-4-ol2-Fluoro-4-mesylbenzoic Acid4-(3-Trifuoromethyl)phenyl-4-piperidinol4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidine4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine4-(3-trifluoromethylphenyl)-4-piperidinol

Weitere Namen anzeigen

NSC 83235MLS000080732SMR000035341EINECS 216-863-3TIMTEC-BB SBB0031844-(3-Trifluoromethylphenyl)-4-2-methylthiazole-25-carboxylic acid4-[3-(Trifluromethyl)phenyl]-4-piperidinol

EINECS 218-840-3XF4TT4N8WX4-(3-Trifluoromethylphenyl)-4-hydroxypiperidine4-hydroxy-4-(3-trifluoromethylphenyl)piperidine4-Hydroxy-4-[(3-trifluoromethyl)phenyl]piperidineSCHEMBL186127SCHEMBL1414020CHEMBL1624025

Datenbank-Bezeichner

CAS: 2249-28-7
PubChem CID: 75255
DTXSID: DTXSID50177014
ChEMBL: CHEMBL1624025
UNII: XF4TT4N8WX
EC Number: 218-840-3
Nikkaji: J213.142K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 261

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-95 °C
Siedepunkt: 301 °C · 301°C
Dichte: 1.253 · 1.253
Flammpunkt: 136 °C · 136°C
storage temp.: 2 · 2-8°C, protect from light
Aggregatzustand: Fine Crystalline Powder
pka: 13.94 · 13.94±0.20(Predicted)
Farbe: Light beige

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Sicherheitsdaten

hs_code: 29333999
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-[3-(Trifluoromethyl)phenyl]-4-piperidinol can be used to synthesize antagonists for CCR1 receptor. It can also be used to synthesize (bisarylmethoxy)butylpiperidine analogues as neurotransmitter transporter inhibitors. It is also an intermediate for xaliproden [135354-02-8].