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2-Phenyl-3-(4-piperidinyl)-1H-indole
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Name

2-Phenyl-3-(4-piperidinyl)-1H-indole

 EINECS N/A
CAS No. 221109-26-8 Density 1.131 g/cm3
PSA 24.06000 LogP 4.40340
Solubility N/A Melting Point N/A
Formula C19H20N2 Boiling Point 484.065 °C at 760 mmHg
Molecular Weight 276.381 Flash Point 246.554 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 221109-26-8 (2-Phenyl-3-(4-piperidinyl)-1H-indole) Hazard Symbols N/A
Synonyms

Ethisterone;

Article Data 3

2-Phenyl-3-(4-piperidinyl)-1H-indole Synthetic route

NH4HCO2

NH4HCO2

221109-25-7

2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

Conditions
ConditionsYield
With sodium hydroxide; palladium In methanol; water75%
221109-25-7

2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

Conditions
ConditionsYield
With ammonium formate; palladium on activated charcoal In methanol Heating;75%
41661-47-6

piperidin-4-one

221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 78 percent / AcOH; H3PO4 / 100 °C
2: 75 percent / ammonium formate / 10 percent Pd/C / methanol / Heating
View Scheme
948-65-2

2-phenyl-indole

221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 78 percent / AcOH; H3PO4 / 100 °C
2: 75 percent / ammonium formate / 10 percent Pd/C / methanol / Heating
View Scheme
103-63-9

1-phenyl-2-bromoethane

221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide91%
With potassium carbonate In N,N-dimethyl-formamide at 20℃;90%
100-39-0

benzyl bromide

221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;65%
With potassium carbonate In N,N-dimethyl-formamide65%
221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

3-(1-methylpiperidin-4-yl)-2-phenyl-1H-indole

Conditions
ConditionsYield
With formaldehyd; sodium cyanoborohydride; acetic acid In methanol; water23%

1-(2-bromo-ethyl)-imidazolidin-2-one

221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

1-{2-[4-(2-phenyl-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-imidazolidin-2-one

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;70%
221109-26-8

3-(Piperidin-4-yl)-2-phenyl-1H-indole

74-88-4

methyl iodide

3-(1-methylpiperidin-4-yl)-2-phenyl-1H-indole

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;25%

2-Phenyl-3-(4-piperidinyl)-1H-indole Specification

The 1H-indole, 2-phenyl-3-(4-piperidinyl)- is an organic compound with the formula C19H20N2. The IUPAC name of this chemical is 2-phenyl-3-piperidin-4-yl-1H-indole. With the CAS registry number 221109-26-8, it is also named as 2-Phenyl-3-(4-piperidinyl)-1H-indole. The product's categories are Pharmacetical; Piperidine Series; Indole Series.

The other characteristics of 1H-indole, 2-phenyl-3-(4-piperidinyl)- can be summarized as: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 87.719 cm3; (14)Molar Volume: 244.394 cm3; (15)Polarizability: 34.774×10-24 cm3; (16)Surface Tension: 47.977 dyne/cm; (17)Flash Point: 246.554 °C; (18)Enthalpy of Vaporization: 74.929 kJ/mol; (19)Boiling Point: 484.065 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C; (21)Rotatable Bond Count: 2; (22)Exact Mass: 276.162649; (23)MonoIsotopic Mass: 276.162649; (24)Topological Polar Surface Area: 27.8; (25)Heavy Atom Count: 21; (26)Complexity: 331.

People can use the following data to convert to the molecule structure.
1. SMILES:n1c(c(c2ccccc12)C3CCNCC3)c4ccccc4
2. InChI:InChI=1/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2 
3. InChIKey:FWPAVENSJPMGJO-UHFFFAOYAM
4. Std. InChI:InChI=1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2 
5. Std. InChIKey:FWPAVENSJPMGJO-UHFFFAOYSA-N

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