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CAS No.: | 17403-07-5 |
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Name: | 3-(1-METHYL-4-PIPERIDINYL)INDOLE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C14H18N2 |
Molecular Weight: | 214.31 |
Synonyms: | Indole,3-(1-methyl-4-piperidyl)- (8CI);3-(1-Methyl-4-piperidinyl)-1H-indole; |
Density: | 1.103g/cm3 |
Boiling Point: | 373.4°Cat760mmHg |
Flash Point: | 179.6°C |
PSA: | 19.03000 |
LogP: | 2.91500 |
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The 3-(N-Methylpiperidinyl)indole, with cas registry number of 17403-07-5, has the systematic name of 3-(1-methylpiperidin-4-yl)-1H-indole. The 3-(N-Methylpiperidinyl)indole belongs to the following product categorie: pharmacetical. It is for research use only.
Physical properties about this chemical are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 68.05 cm3; (15)Molar Volume: 194.1 cm3; (16)Polarizability: 26.97×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Enthalpy of Vaporization: 62.06 kJ/mol; (19)Vapour Pressure: 9E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:c2c(c1ccccc1n2)C3CCN(C)CC3;
(2)InChI:InChI=1/C14H18N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3;
(3)InChIKey:KYSCKYJNMTUJPA-UHFFFAOYAC;
(4)Std. InChI:InChI=1S/C14H18N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3;
(5)Std. InChIKey:KYSCKYJNMTUJPA-UHFFFAOYSA-N.