4-[4-Chlor-3-(trifluormethyl)phenyl]piperidin-4-ol

4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol

HCID 89107CAS 21928-50-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCNCC1
InChIKey: RALRVIPTUXSBPO-UHFFFAOYSA-N
Summenformel: C12H13ClF3NO
Durchschnittliche Molmasse: 279,68 g/mol
Monoisotopische Masse: 279,06377638

Namen und Bezeichner

Bevorzugter Name: 4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol
IUPAC: 4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
Lokaler Name: 4-[4-Chlor-3-(trifluormethyl)phenyl]piperidin-4-ol
Englischer Name: 4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol
Summenformel: C12H13ClF3NO
Molmasse: 279.69

Namen und Synonyme

21928-50-74-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol4-(4-Chloro-3-(trifluoromethyl)phenyl)-4-piperidinolEINECS 244-665-7DTXSID10176341RefChem:514016DTXCID1098832244-665-7MFCD00066999JV5G3R6M8T

Weitere Namen anzeigen

PIPERIDINE ALCOHOLTIMTEC-BB SBB003024LABOTEST-BB LT004410264-(4-CHLORO-3-(TRIFLUOROMETHYL)-4-PIPERIDINOL4(3-TRIFLUOROMETHYL-4-CHLOROPHENYL)-4-PIPERIDINOL4-(3-trifluoromethyl-4-chloro)phonyl-4-pipridinol4-[(3-TRIFLUOROMETHYL-4-CHLORO)PHENYL]-4-PIPIDINOL4-4-Chloro-3-(trifluoromethyl)phenyl-4-piperindiol4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidino4-(4-chloro-3(trifluoromethyl) Phenyl)-4-piperdinol

4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol4-[4-chloro-3-trifluoromethylphenyl]-4-piperidinolPiperidinalkohol4-Piperidinol, 4-[4-chloro-3-(trifluoromethyl)phenyl]-PENFLURIDOL_met006UNII-JV5G3R6M8TSCHEMBL186535

Datenbank-Bezeichner

CAS: 21928-50-7
PubChem CID: 89107
DTXSID: DTXSID10176341
UNII: JV5G3R6M8T
EC Number: 244-665-7
Nikkaji: J225.486G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 292

Experimentelle und physikochemische Eigenschaften

Collision Cross Section160.85 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-141 °C(lit.)
Siedepunkt: 333.3 · 333.3±42.0 °C(Predicted)
Dichte: 1.2685 · 1.2685 (estimate)
storage temp.: 2 · 2-8°C, protect from light
Löslichkeit: soluble in Methanol
pka: 13.55 · 13.55±0.20(Predicted)
Aggregatzustand: Fine Crystalline Powder
Farbe: Beige
InChI: 1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2
InChIKey: RALRVIPTUXSBPO-UHFFFAOYSA-N
SMILES: OC1(CCNCC1)c2ccc(Cl)c(c2)C(F)(F)F
CAS Datenbank: 21928 · 21928-50-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.