49752-90-1 (2,8-双(三氟甲基)喹啉-4-基(哌啶-2-基)甲醇,2,8-bis(trifluoromethyl)quinolin-4-yl(piperidin-2-yl)methanol)

CAS号:
49752-90-1
中文名称:
2,8-双(三氟甲基)喹啉-4-基(哌啶-2-基)甲醇
英文名称:
2,8-bis(trifluoromethyl)quinolin-4-yl(piperidin-2-yl)methanol
分子式:
C17H16F6N2O
分子量:
378.312165260315

2,8-双(三氟甲基)喹啉-4-基(哌啶-2-基)甲醇(49752-90-1)名称与标识符

名称

英文别名:
alpha-2-piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol;4-Quinolinemethanol, α-2-piperidinyl-2,8-bis(trifluoromethyl)-;Α-2-PIPERIDYL-2,8-BIS(TRIFLUOROMETHYL)QUINOLINE-4-METHANOL;2,8-bis(trifluoromethyl)quinolin-4-yl(piperidin-2-yl)methanol;DTXSID50860636;CCG-39182;CHEMBL416956;KBio2_004360;DB00358;KBio2_006928;SPECTRUM1503070;BRD-A89585551-003-08-3;Lariam;Q736270;Prestwick2_000126;BPBio1_000190;AB00052310;Spectrum_001312;IDI1_000790;Mefaquin;WR 142,490;AKOS030575625;SPBio_002111;BRD-A89585551-003-03-4;HMS502H12;EINECS 256-468-3;Prestwick3_000126;NCGC00094994-04;(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol;(S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol;mefloquine;Ro-21-5998-001;[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol;BSPBio_000172;[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol;Spectrum2_001516;NCGC00094994-02;(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol; (Mefloquine or MF);NCGC00094994-01;KBio1_000790;NCGC00094994-03;HMS1922C09;(S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(R)-piperidin-2-yl-methanol;NSC-758233;2-[(2,8-Bis-trifluoromethyl-quinolin-4-yl)-hydroxy-methyl]-piperidinium;SBI-0051761.P002;Prestwick0_000126;SR-05000001820-11;SPBio_001591;SR-05000001820;[2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol;4-Quinolinemethanol, .alpha.-2-piperidinyl-2,8-bis(trifluoromethyl)-, (R*,S*)-(.+/-.)-;Prestwick1_000126;BCP09262;WR-142490;49752-90-1;AB00052310_09;(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol;4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-;NINDS_000790;CHEBI:63681;GTPL4252;threo-MefloquineHydrochloride;STL581681;EN300-1696285;Racemic mefloquine;(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-piperidin-2-yl)-methanol;alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol;SCHEMBL21782;DivK1c_000790;BDBM50022889;melfoquine;KBio2_001792;[(R*,S*)-2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol;2,8-di(trifluoromethyl)-4-quinolyl-hexahydro-2-pyridinylmethanol(Mefloquine);Spectrum3_000953;KBioSS_001792;rel-(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol;Spectrum4_001066;KBioGR_001392;NS00005035;rac-mefloquine;4-Quinolinemethanol, .alpha.-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (.alpha.S)-rel-;NCGC00094994-06;GNF-Pf-5544;DB-179095;(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol( Mefloquine);Mefloquinone;KBio3_002046;(DL-erythro-.alpha.-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol;Spectrum5_001122;

标识符

InChIKey:
XEEQGYMUWCZPDN-UHFFFAOYSA-N
Inchi:
1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
SMILES:
FC(C1=CC(=C2C=CC=C(C(F)(F)F)C2=N1)C(C1CCCCN1)O)(F)F

2,8-双(三氟甲基)喹啉-4-基(哌啶-2-基)甲醇(49752-90-1)物化性质

实验特性

  • LogP : 3.9
  • 折射率 : 1.519
  • 沸点 : 415.7°C at 760 mmHg
  • 熔点 : 174-176 °C
  • 闪点 : 205.2°C
  • 密度 : 1.383

计算特性

  • 精确分子量 : 378.116682
  • 氢键供体数量 : 2
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 2
  • 同位素质量 : 378.116682
  • 重原子数量 : 26
  • 复杂度 : 483
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.6
  • 拓扑分子极性表面积 : 45.2

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