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CAS No.: | 519-74-4 |
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Name: | 2-Benzhydrylpiperidine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C18H21N |
Molecular Weight: | 251.371 |
Synonyms: | Ciba 14469;Desoxypipradrol; |
EINECS: | 208-276-6 |
Density: | 1.027 g/cm3 |
Melting Point: | 65-66 °C |
Boiling Point: | 366.3 °C at 760 mmHg |
Flash Point: | 181.3 °C |
Appearance: | white crystalline powder |
PSA: | 12.03000 |
LogP: | 4.28940 |
The 2-Benzhydrylpiperidine, with the CAS registry number 519-74-4 and EINECS registry number 208-276-6, has the systematic name of 2-(diphenylmethyl)piperidine. It is also known as 2-DPMP, and belongs to the product category of pharmacetical. And the molecular formula of this chemical is C18H21N.
The 2-Benzhydrylpiperidine is often used in medicine, and it might prove quite useful for its original application of treating attention-deficit hyperactivity disorder (ADHD) and depression, considering that the short half-life of common medications such as methylphenidate and dextroamphetamine has led to the development of long-acting, delayed-release formulations of these drugs.
The physical properties of 2-Benzhydrylpiperidine are as followings: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 1.16; (6)ACD/BCF (pH 7.4): 1.82; (7)ACD/KOC (pH 5.5): 5.1; (8)ACD/KOC (pH 7.4): 8.01; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 79.97 cm3; (15)Molar Volume: 244.6 cm3; (16)Polarizability: 31.7×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 61.27 kJ/mol; (21)Boiling Point: 366.3 °C at 760 mmHg; (22)Vapour Pressure: 1.48E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)C(c2ccccc2)C3NCCCC3
(2)InChI: InChI=1/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2
(3)InChIKey: RWTNXJXZVGHMGI-UHFFFAOYAK