Ethanone,1-[4-(1H-indol-3-yl)-1-piperidinyl]- (30030-83-2)

The 1-[4-(1H-Indol-3-yl)piperidino]ethan-1-one, with CAS registry number 30030-83-2, has the systematic name of 3-(1-acetylpiperidin-4-yl)-1H-indole. Besides this, it is also called ethanone, 1-[4-(1H-indol-3-yl)-1-piperidinyl]-. And the chemical formula of this chemical is C₁₅H₁₈N₂O.

Physical properties of 1-[4-(1H-Indol-3-yl)piperidino]ethan-1-one: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.51; (6)ACD/BCF (pH 7.4): 27.51; (7)ACD/KOC (pH 5.5): 373.22; (8)ACD/KOC (pH 7.4): 373.23; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.24 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 72.55 cm³; (15)Molar Volume: 205.3 cm³; (16)Polarizability: 28.76×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Enthalpy of Vaporization: 73.96 kJ/mol; (19)Vapour Pressure: 3.16E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N3CCC(c2c1ccccc1nc2)CC3)C
(2)InChI: InChI=1/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
(3)InChIKey: PRFIVCWVSORYRV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
(5)Std. InChIKey: PRFIVCWVSORYRV-UHFFFAOYSA-N