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

Name
1-Benzoyl-4-(1H-indol-3-yl)piperidine
EINECS 260-131-6
CAS No. 56361-85-4
Article Data3
CAS DataBase
Density 1.211 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperidine,1-benzoyl-4-(1H-indol-3-yl)- (9CI);Piperidine, 1-benzoyl-4-indol-3-yl- (7CI);
PSA
LogP

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

Product Name

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

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

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