Methyl N-methylisonipecotinate

C₈H₁₅NO₂CAS 1690-75-1157.21 g/mol

Open in Covalent MOL file

Ester Tertiary Amine

Properties

Molecular formula: C₈H₁₅NO₂
Molar mass: 157.21 g/mol
Exact mass: 157.1103 Da
Boiling point: 78–80 °C (at 8 Torr)
logP: 0.50Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1690-75-1

SMILES

COC(=O)C1CCN(C)CC1

InChIKey

KYAOKPRJTMFBTQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h7H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

4-Piperidinecarboxylic acid, 1-methyl-, methyl ester
Isonipecotic acid, 1-methyl-, methyl ester
Methyl 1-methylpiperidine-4-carboxylate

Work with Methyl N-methylisonipecotinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Ethyl isonipecotate1126-09-6 Tranexamic acid1197-18-8 (αS)-α-Aminocyclohexaneacetic acid14328-51-9 Ethyl 2-piperidinecarboxylate15862-72-3 1-Methylnipecotinic acid methyl ester1690-72-8 N-(Butoxymethyl)acrylamide1852-16-0 Diethylacetoacetamide2235-46-3 N-(4-Hydroxycyclohexyl)acetamide23363-88-4

Elsewhere

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