2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-

HCID 10892005

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 201594-84-5
Standard-SMILES: Clc1ccc([C@H](OC2CCNCC2)c2ccccn2)cc1
InChIKey: OTZYADIPHOGUDN-KRWDZBQOSA-N
Summenformel: C17H19ClN2O
Durchschnittliche Molmasse: 302,8 g/mol
Monoisotopische Masse: 302,11859091

Namen und Bezeichner

Bevorzugter Name: 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-
IUPAC: 2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
Englischer Name: (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
Summenformel: C17H19ClN2O
Molmasse: 302.8

Namen und Synonyme

201594-84-5JT9XJK7X8X2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-RefChem:1060529(S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridinePyridine, 2-[(S)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-MFCD099553592-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridineSCHEMBL2805296(S)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine

Weitere Namen anzeigen

(S)-2-((4-ChLBepotastine Impurity 42-[(S)-(4-CHLOROPHENYL)(S)-2-[(4-Chlorophenyl)(4-piperidyloxy)methyl]pyridine(S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridi

(S)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidineOTZYADIPHOGUDN-KRWDZBQOSA-NBCP133762-[(S)-(4-chlorophenyl)-(4-piperidyloxy)methyl]pyridineDTXSID70447428(s)-(-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidineCS-B0348AKOS015901675

Datenbank-Bezeichner

CAS: 201594-84-5
PubChem CID: 10892005
DTXSID: DTXSID70447428
UNII: JT9XJK7X8X
Nikkaji: J1.644.745E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 34,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 301

Physikochemische Eigenschaften

Siedepunkt: 421.7 · 421.7±45.0 °C(Predicted)
Dichte: 1.21 · 1.21
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 9.71 · 9.71±0.10(Predicted)
Farbe: Pale Yellow to Dark Yellow
InChI: InChI=1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2/t17-/m0/s1
InChIKey: OTZYADIPHOGUDN-KRWDZBQOSA-N
SMILES: C1([C@H](C2=CC=C(Cl)C=C2)OC2CCNCC2)=NC=CC=C1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine is used as a reagent to prepare optically active 4-[(4-chlorophenyl-2-pyridyl)methoxy]piperidine, a compound that is used as an intermediate in the synthesis of antihistamines and antiallergy agents. (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine is also an intermediate of Bepotastine besylate (B317000), a non-sedating H1-antagonist that has anti-inflammatory activity.