1-Benzylpiperidine

1-Benzylpiperidine is an organic compound with the formula C₁₂H₁₇N, and its systematic name is the same with the product name. With the CAS registry number 2905-56-8, it is also named as 1-(Phenylmethyl)piperidine. Its EINECS number is 220-809-4. In addition, the molecular weight is 175.27. This chemical should be sealed and stored in a cool and dry place.

Physical properties of 1-Benzylpiperidine are: (1)ACD/LogP: 2.931; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.42; (7)ACD/KOC (pH 5.5): 1.03; (8)ACD/KOC (pH 7.4): 22.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 55.792 cm³; (15)Molar Volume: 175.818 cm³; (16)Polarizability: 22.118×10^-24cm³; (17)Surface Tension: 39.53 dyne/cm; (18)Density: 0.997 g/cm³; (19)Flash Point: 94.01 °C; (20)Enthalpy of Vaporization: 48.371 kJ/mol; (21)Boiling Point: 246.586 °C at 760 mmHg; (22)Vapour Pressure: 0.027 mmHg at 25°C.

Preparation of 1-Benzylpiperidine: this chemical can be prepared by piperidine and benzaldehyde at the ambient temperature. This reaction will need reagents Et₃NH·HCl, borohydride exchange resin (BER) and solvent ethanol with the reaction time of 1 hour. The yield is about 90%.

Uses of 1-Benzylpiperidine: it can be used to produce 1-benzyl-piperidine-1-oxide at the temperature of 20 °C. It will need reagents aq. H₂O₂, dodecylbenzenesulfonic acid sodium salt and catalyst layered double hydroxide WO₄(2-) with the reaction time of 1 hour. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)CN2CCCCC2
(2)InChI: InChI=1/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
(3)InChIKey: NZVZVGPYTICZBZ-UHFFFAOYAZ