4-[3-(トリフルオロメチル)フェニル]ピペリジン-4-オール

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

HCID 75255CAS 2249-28-7

部分構造検索類似構造を探す

基本情報

標準SMILES: OC1(c2cccc(C(F)(F)F)c2)CCNCC1
InChIKey: ILKPZCKFWLTEBQ-UHFFFAOYSA-N
分子式: C12H14F3NO
平均分子量: 245.24 g/mol
単同位体質量: 245.10274873

名称と識別子

優先名称: 4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
IUPAC: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
現地名: 4-[3-(トリフルオロメチル)フェニル]ピペリジン-4-オール
英語名: 4-(3-Trifuoromethyl)phenyl-4-piperidinol
分子式: C12H14F3NO
分子量: 245.24

名称と別名

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

名称をさらに表示

4-[3-(トリフルオロメチル)フェニル]ピペリジン-4-オール4-〔3-(トリフルオロメチル)フェニル〕-4-ピペリジノール4‐[3‐(トリフルオロメチル)フェニル]‐4‐ピペリジノール4-[3-(トリフルオロメチル)フェニル]-4-ピペリジノール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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.8
極性表面積: 32.3 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 261

物理化学的性質

融点: 91 · 91-95 °C
沸点: 301 °C · 301°C
比重(密度): 1.253 · 1.253
闪点: 136 °C · 136°C
貯蔵温度: 2 · 2-8°C, protect from light
外見: 微結晶性粉末
酸解離定数(Pka): 13.94 · 13.94±0.20(Predicted)
色: ライトベージュ

化学的性質

化学的特性LIGHT BEIGE FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (20%)

安全データ

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

化学と産業

応用分野 · 1 件

使用4-[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].