CAS No.1155-56-2,4-ANILINO-1-BENZYLPIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1155-56-2
Name:	4-ANILINO-1-BENZYLPIPERIDINE
Article Data:	27

Formula:	C₁₈H₂₂N₂
Molecular Weight:	266.386
Synonyms:	Piperidine,4-anilino-1-benzyl- (7CI,8CI);1-Benzyl-4-(phenylamino)piperidine;1-Benzyl-4-anilinopiperidine;4-Anilino-1-benzylpiperidine;NSC 76613;
EINECS:	214-583-6
Density:	1.106 g/cm³
Melting Point:	848-886 °C
Boiling Point:	404.619 °C at 760 mmHg
Flash Point:	158.462 °C
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	15.27000
LogP:	3.77400

Raw Materials

100-46-9

3612-20-2

793-19-1

Downstream Products

437-38-7

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Specification

The IUPAC name of 1-Benzyl-N-phenylpiperidin-4-amine is 1-benzyl-N-phenylpiperidin-4-amine. With the CAS registry number 1155-56-2, it is also named as 4-Anilino-1-benzylpiperidine. In addition, its molecular formula is C₁₈H₂₂N₂ and molecular weight is 266.38.

The other characteristics of this product can be summarized as: (1)EINECS: 214-583-6; (2)ACD/LogP: 3.74; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.287; (5)ACD/LogD (pH 7.4): 3.007; (6)ACD/BCF (pH 5.5): 1.448; (7)ACD/BCF (pH 7.4): 76.013; (8)ACD/KOC (pH 5.5): 9.146; (9)ACD/KOC (pH 7.4): 479.991; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 85.018 cm³; (15)Molar Volume: 240.758 cm³; (16)Surface Tension: 50.226 dyne/cm; (17)Density: 1.106 g/cm³; (18)Flash Point: 158.462 °C; (19)Enthalpy of Vaporization: 65.609 kJ/mol; (20)Boiling Point: 404.619 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Uses of 1-Benzyl-N-phenylpiperidin-4-amine: this chemical is used as an intermediate in the preparation of fentanyl derivatives. Besides, it can react with 3-Ethoxy-acryloyl chloride to get β-Ethoxy-N-phenyl-N-(1-benzyl-4-πperidyl)acrylamide.

This reaction needs Triethylamine and Diisopropyl ether by heating for 1 hour. The yield is 81 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc(cc1)CN2CCC(CC2)Nc3ccccc3
(2)InChI: InChI=1/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
(3)InChIKey: FSXGJIFBTBJMHV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
(5)Std. InChIKey: FSXGJIFBTBJMHV-UHFFFAOYSA-N