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4-Piperidinol,1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]- (56108-27-1)

Identification
Name:4-Piperidinol,1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-
Synonyms:1-Benzyl-4-(3-trifluoromethylphenyl)piperidin-4-ol;
CAS:56108-27-1
Molecular Formula: C19H20F3NO
Molecular Weight: 335.36
Molecular Structure: (C19H20F3NO) 1-Benzyl-4-(3-trifluoromethylphenyl)piperidin-4-ol;
Properties
Density:1.345 g/cm3
Specification:

The cas register number of 1-Benzyl-4-(3-trifuoromethyl)phenyl-4-piperdinol is 56108-27-1. It also can be called as 1-Benzyl-4-(3-(trifluoromethyl)phenyl)piperidin-4-ol and the Systematic name about this chemical is 1-benzyl-4-(2,3,6-trifluoro-4-methyl-phenyl)piperidine-2,4-diol.

Physical properties about 1-Benzyl-4-(3-trifuoromethyl)phenyl-4-piperdinol are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 7.4): 1.323; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 4.545; (5)ACD/KOC (pH 5.5): 1.558; (6)ACD/KOC (pH 7.4): 74.593; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 43.7Å2; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 88.128 cm3; (13)Molar Volume: 261.311 cm3; (14)Polarizability: 34.937x10-24cm3; (15)Surface Tension: 52.473 dyne/cm; (16)Enthalpy of Vaporization: 79.257 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(c(c1F)F)C2(CCN(C(C2)O)Cc3ccccc3)O)F
(2)InChI: InChI=1/C19H20F3NO2/c1-12-9-14(20)16(18(22)17(12)21)19(25)7-8-23(15(24)10-19)11-13-5-3-2-4-6-13/h2-6,9,15,24-25H,7-8,10-11H2,1H3
(3)InChIKey: VKRYGMKINIUAOF-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C19H20F3NO2/c1-12-9-14(20)16(18(22)17(12)21)19(25)7-8-23(15(24)10-19)11-13-5-3-2-4-6-13/h2-6,9,15,24-25H,7-8,10-11H2,1H3
(5)Std. InChIKey: VKRYGMKINIUAOF-UHFFFAOYSA-N

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