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CAS No.: | 58258-01-8 |
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Name: | 4-(DIPHENYLMETHOXY)PIPERIDINE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C18H21NO |
Molecular Weight: | 267.371 |
Synonyms: | 4-(4-Benzhydryloxy)piperidine;4-(Benzhydryloxy)piperidine;4-(Diphenylmethoxy)piperidine; |
Density: | 1.09 g/cm3 |
Melting Point: | 202-204℃ |
Boiling Point: | 383.5 °C at 760 mmHg |
Flash Point: | 162.9 °C |
Appearance: | low melting light-brown solid |
PSA: | 21.26000 |
LogP: | 3.87340 |
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The Piperidine, 4-(diphenylmethoxy)-, with the CAS registry number of 58258-01-8, is also known as 4-Diphenylmethoxypiperidinehydrochloride. It belongs to the product categories of Piperidine; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. This chemical's molecular formula is C18H21NO and molecular weight is 267.37. What's more, its systematic name is called 4-(Diphenylmethoxy)piperidine. Besides, it is a metabolite of Ebastine.
Physical properties about Piperidine, 4-(diphenylmethoxy)- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 3.51; (8)ACD/KOC (pH 7.4): 9.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 82.55 cm3; (15)Molar Volume: 244.9 cm3; (16)Surface Tension: 44.6 dyne/cm; (17)Density: 1.09 g/cm3; (18)Flash Point: 162.9 °C; (19)Enthalpy of Vaporization: 63.21 kJ/mol; (20)Boiling Point: 383.5 °C at 760 mmHg; (21)Vapour Pressure: 4.38E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(C(c1ccccc1)c2ccccc2)C3CCNCC3
(2) InChI: InChI=1/C18H21NO/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17/h1-10,17-19H,11-14H2
(3) InChIKey: OQAOREVBRZVXDS-UHFFFAOYAP