1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE

The 4-Piperidinecarbonitrile,4-hydroxy-1-(phenylmethyl)-, also known as AC1L2YY1, is an organic compound with the formula C₁₃H₁₆N₂O. Its EINECS registry number is 228-043-2. With the CAS registry number 6094-60-6, its IUPAC name is 1-benzyl-4-hydroxypiperidine-4-carbonitrile. What's more, this chemical is a yellow to beige crystalline powder and chunks.

Physical properties of 4-Piperidinecarbonitrile,4-hydroxy-1-(phenylmethyl)-: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): -0.53; (3)ACD/LogD (pH 7.4): 0.41; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.18; (6)ACD/KOC (pH 5.5): 4.31; (7)ACD/KOC (pH 7.4): 38.07; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 62.49 cm³; (13)Molar Volume: 184.6 cm³; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.17 g/cm³; (16)Flash Point: 195.4 °C; (17)Enthalpy of Vaporization: 68.58 kJ/mol; (18)Boiling Point: 399.5 °C at 760 mmHg; (19)Vapour Pressure: 4.22E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-benzyl-piperidin-4-one and hydrocyanic acid; potassium salt. This reaction will need solvents methanol and H₂O. The reaction need react at ambient temperature. The yield is about 67%.

Uses of 4-Piperidinecarbonitrile,4-hydroxy-1-(phenylmethyl)-: it can be used to produce 1'-benzyl-octahydro-[1,4']bipyridinyl-4'-carbonitrile by heating. This reaction will need solvent methanol with reaction time of 2 hours. The yield is about 74%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It 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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1(C#N)O)CC2=CC=CC=C2
(2)InChI: InChI=1S/C13H16N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-10H2
(3)InChIKey: XQRLXUYZKZXSBN-UHFFFAOYSA-N