4-Phenylpiperidin-4-ol

HCID 96387CAS 40807-61-2

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Grundinformationen

Standard-SMILES: OC1(c2ccccc2)CCNCC1
InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N
Summenformel: C11H15NO
Durchschnittliche Molmasse: 177,24 g/mol
Monoisotopische Masse: 177,1153641

Namen und Bezeichner

Bevorzugter Name: 4-Phenylpiperidin-4-ol
IUPAC: 4-phenylpiperidin-4-ol
Lokaler Name: 4-Phenylpiperidin-4-ol
Englischer Name: 4-HYDROXY-4-PHENYLPIPERIDINE
Summenformel: C11H15NO
Molmasse: 177.24

Namen und Synonyme

4-Phenylpiperidin-4-olDTXSID2057738NSC 71658EINECS 255-089-0DTXCID3031527RefChem:526440255-089-040807-61-24-Hydroxy-4-phenylpiperidine4-Phenyl-4-piperidinol4-Piperidinol, 4-phenyl-MFCD00006000

Weitere Namen anzeigen

Traxoprodil Impurity 3LABOTEST-BB LT00233127Haloperidol Impurity 4Haloperidol Impurity 264-Phenylpiperidin-4-ol 98+%4-PHENYL-4-HYDROXYPIPERIDINE

4-phenyl-4-piperidolHaloperidol Impurity 114-phenyl-piperidin-4-ol4-hydroxy-4phenylpiperidineSCHEMBL3060264-hydroxy-4-phenyl-piperidineNSC-71658AMY3467

Datenbank-Bezeichner

CAS: 40807-61-2
PubChem CID: 96387
DTXSID: DTXSID2057738
ChEMBL: CHEMBL3561572
UNII: 69T6Q5GXM8
EC Number: 255-089-0
Nikkaji: J327A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: 157 · 157-161 °C(lit.)
Siedepunkt: 317.9 · 317.9±42.0 °C(Predicted)
Dichte: 1.093 · 1.093
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 14.13 · 14.13±0.20(Predicted)
Farbe: Pale brown
BRN: 141577 · 141577
InChI: 1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N
SMILES: OC1(CCNCC1)c2ccccc2
CAS Datenbank: 40807 · 40807-61-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of:Diaminotriazine hNav1.7 inhibitorsSelective σligandsGlycogen synthase kinase-3βinhibitorsDiphenylbutylpiperidines as cell autophagy inducersMalonyl-coA decarboxylase inhibitors with antiobesity and antidiabetic activitiesSelective dopamine D2 receptor antagonists