5-Methoxy-3-(1-methyl-4-piperidinyl)indole supplier

Name
5-METHOXY-3-(1-METHYL-4-PIPERIDINYL)INDOLE
EINECS
CAS No. 111963-87-2
Article Data3
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₀N₂O
Boiling Point 409.333 °C at 760 mmHg
Molecular Weight 244.337
Flash Point 201.358 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-METHOXY-3-(1-METHYL-4-PIPERIDINYL)INDOLE;5-methoxy-3-(1-methylpiperidin-4-yl)-1H-indole
PSA 28.26000
LogP 2.92360

5-Methoxy-3-(1-methyl-4-piperidinyl)indole Specification

The IUPAC name of 5-Methoxy-3-(1-methyl-4-piperidinyl)indole is 5-Methoxy-3-(1-methylpiperidin-4-yl)-1H-indole. With the CAS registry number 111963-87-2, it is also named as 1H-Indole,5-methoxy-3-(1-methyl-4-piperidinyl)-. The product's molecular formula is C₁₅H₂₀N₂O and its molecular weight is 244.33.

The other characteristics of 5-Methoxy-3-(1-methyl-4-piperidinyl)indole can be summarized as: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.38; (8)H bond acceptors: 3; (9)H bond donors: 1; (10)Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.4 Å²; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 74.73 cm³; (14)Molar Volume: 218.1 cm³; (15)Polarizability: 29.62×10^-24cm³; (16)Surface Tension: 44.5 dyne/cm; (17)Density: 1.12 g/cm³; (18)Flash Point: 201.4 °C; (19)Enthalpy of Vaporization: 66.15 kJ/mol; (20)Boiling Point: 409.3 °C at 760 mmHg; (21)Vapour Pressure: 6.55E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(c3ccc1c(c(cn1)C2CCN(C)CC2)c3)C
(2)InChI:InChI=1/C15H20N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-4,9-11,16H,5-8H2,1-2H3
(3)InChIKey:VPDWMZWOWRKIQD-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C15H20N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-4,9-11,16H,5-8H2,1-2H3
(5)Std. InChIKey:VPDWMZWOWRKIQD-UHFFFAOYSA-N

Product Name

5-METHOXY-3-(1-METHYL-4-PIPERIDINYL)INDOLE

5-Methoxy-3-(1-methyl-4-piperidinyl)indole Specification

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