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Basic Information
CAS No.: 7516-33-8
Name: 4-Piperidinone, 1,2,5-trimethyl-
Molecular Structure:
Molecular Structure of 7516-33-8 (4-Piperidinone, 1,2,5-trimethyl-)
Formula: C8H15NO
Molecular Weight: 141.213
Synonyms: 1,2,5-trimethyl-4-Piperidinone
Density: 0.917 g/cm3
Boiling Point: 203.362 °C at 760 mmHg
Flash Point: 71.126 °C
PSA: 20.31000
LogP: 0.85350
Synthetic route
13058-36-1

5-methoxy-2-methyl-1-hexen-3-one

74-89-5

methylamine

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
In methanol; water at 60℃; for 4h;71.2%
897400-05-4

3-[(2-methoxycarbonyl-propyl)-methyl-amino]-butyric acid ethyl ester

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
Stage #1: 3-[(2-methoxycarbonyl-propyl)-methyl-amino]-butyric acid ethyl ester With ethanol; sodium In xylenes at 20 - 75℃; for 8h; Heating / reflux;
Stage #2: With hydrogenchloride In water for 6h; Heating / reflux;
Stage #3: With potassium hydroxide In water at 0℃; pH=10;
47%
60585-74-2, 127611-57-8, 127611-58-9, 127611-59-0

N-(1,2,5-trimethylpiperidylidene-4)aniline

6921-34-2

benzylmagnesium chloride

A

7516-33-8

1,2,5-trimethyl-4-piperidone

B

129115-34-0

1-methyl-2r,5c-dimethyl-4t-benzyl-4c-phenylaminopiperidine

C

62-53-3

aniline

Conditions
ConditionsYield
In diethyl ether for 8h; Heating;A n/a
B 46%
C n/a
103263-54-3

5-ethoxy-2-methyl-1-hexen-3-one

74-89-5

methylamine

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
In methanol; water at 60℃; for 4h;45.5%
591-51-5

phenyllithium

113556-34-6

N-(1,2,5-trimethylpiperidinylidene-4-)-β-hydroxyethylamine

A

7516-33-8

1,2,5-trimethyl-4-piperidone

B

141-43-5

ethanolamine

C

113556-41-5

1,2,5-trimethyl-4-phenyl-4-N-(β-hydroxyethyl)aminopiperidine

Conditions
ConditionsYield
In diethyl etherA n/a
B n/a
C 11%
66109-81-7

2,5-dimethyl-tetrahydro-pyran-4-one

74-89-5

methylamine

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
With water
4558-87-6

2,5-dimethylpiperidin-4-one

74-88-4

methyl iodide

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
With 1,4-dioxane
820-54-2

2-methyl-hexa-1,5-dien-3-yne

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
With water; butan-1-ol Erwaermen unter Zusatz von Schwefelsaeure und Quecksilber(II)-sulfat und Erwaermen des Reaktionsgemisches mit wss. Methylamin in Aethanol;
13058-39-4, 105645-96-3, 105645-99-6

(E)-2-methylhexa-1,4-dien-3-one

74-89-5

methylamine

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
With water
41854-15-3

1,5-dimethoxy-2-methyl-hexan-3-one

74-89-5

methylamine

7516-33-8

1,2,5-trimethyl-4-piperidone

Conditions
ConditionsYield
With water
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Specification

The 1,2,5-Trimethyl-4-piperidinone, with the CAS registry number 7516-33-8, is also known as 4-Piperidinone, 1,2,5-trimethyl-. This chemical's molecular formula is C8H15NO and molecular weight is 141.21. What's more, its systematic name is 1,2,5-Trimethyl-4-piperidinone. 

Physical properties of 1,2,5-Trimethyl-4-piperidinone are: (1)ACD/LogP: 0.634; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 8.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 40.88 cm3; (15)Molar Volume: 153.989 cm3; (16)Polarizability: 16.206×10-24cm3; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 0.917 g/cm3; (19)Flash Point: 71.126 °C; (20)Enthalpy of Vaporization: 43.958 kJ/mol; (21)Boiling Point: 203.362 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(N(C)CC1C)C
(2)Std. InChI: InChI=1S/C8H15NO/c1-6-5-9(3)7(2)4-8(6)10/h6-7H,4-5H2,1-3H3
(3)Std. InChIKey: VQHHMWWQNKUPKH-UHFFFAOYSA-N