4-[[(S)-4-クロロ-α-(2-ピリジル)ベンジル]オキシ]ピペリジン

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

HCID 10892005

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 201594-84-5
標準SMILES: Clc1ccc([C@H](OC2CCNCC2)c2ccccn2)cc1
InChIKey: OTZYADIPHOGUDN-KRWDZBQOSA-N
分子式: C17H19ClN2O
平均分子量: 302.8 g/mol
単同位体質量: 302.11859091

名称と識別子

優先名称: 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine, (S)-
IUPAC: 2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
現地名: 4-[[(S)-4-クロロ-α-(2-ピリジル)ベンジル]オキシ]ピペリジン
英語名: (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
分子式: C17H19ClN2O
分子量: 302.8

名称と別名

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

名称をさらに表示

2-[(S)-(4-クロロフェニル)(ピペリジン-4-イルオキシ)メチル]ピリジン4-[[(S)-4-クロロ-α-(2-ピリジル)ベンジル]オキシ]ピペリジン(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

データベース識別子

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

物性

構造計算による物性

XLogP: 3
極性表面積: 34.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 301

物理化学的性質

沸点: 421.7 · 421.7±45.0 °C(Predicted)
比重(密度): 1.21 · 1.21
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油
酸解離定数(Pka): 9.71 · 9.71±0.10(Predicted)
色: 淡黄色～濃黄色～濃黄色
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

化学的性質

化学的特性Yellow to light brown liquid

化学と産業

応用分野 · 1 件

使用(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.