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1-Benzoyl-4-(1H-indol-3-yl)piperidine

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Name

1-Benzoyl-4-(1H-indol-3-yl)piperidine

EINECS 260-131-6
CAS No. 56361-85-4 Density 1.211 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point 220-222 °C
Formula C20H20N2O Boiling Point 533.7 °C at 760 mmHg
Molecular Weight 304.392 Flash Point 276.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56361-85-4 (1-Benzoyl-4-(1H-indol-3-yl)piperidine) Hazard Symbols N/A
Synonyms

Piperidine,1-benzoyl-4-(1H-indol-3-yl)- (9CI);Piperidine, 1-benzoyl-4-indol-3-yl- (7CI);

Article Data 3

1-Benzoyl-4-(1H-indol-3-yl)piperidine Specification

The IUPAC name of 1-Benzoyl-4-(1H-indol-3-yl)piperidine is [4-(1H-indol-3-yl)piperidin-1-yl]-phenylmethanone. With the CAS registry number 56361-85-4, it is also named as Methanone,[4-(1H-indol-3-yl)-1-piperidinyl]phenyl-. The product's EINECS is 260-131-6. Besides, its molecular formula is C20H20N2O and its molecular weight is 304.38. 

The other characteristics of 1-Benzoyl-4-(1H-indol-3-yl)piperidine can be summarized as: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.95; (6)ACD/BCF (pH 7.4): 94.95; (7)ACD/KOC (pH 5.5): 905.91; (8)ACD/KOC (pH 7.4): 905.91; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 92.99 cm3; (15)Molar Volume: 251.1 cm3; (16)Polarizability: 36.86×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 276.6 °C; (20)Enthalpy of Vaporization: 80.97 kJ/mol; (21)Boiling Point: 533.7 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:O=C(c1ccccc1)N4CCC(c3c2ccccc2nc3)CC4
InChI:InChI=1/C20H20N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-9,14-15,21H,10-13H2
InChIKey:YTURLADWFKSLFZ-UHFFFAOYAJ
Std. InChI:InChI=1S/C20H20N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-9,14-15,21H,10-13H2
Std. InChIKey:YTURLADWFKSLFZ-UHFFFAOYSA-N

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