Ethyl 1-methylpiperidine-2-carboxylate

C₉H₁₇NO₂CAS 30727-18-5171.24 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₉H₁₇NO₂
Molar mass: 171.24 g/mol
Exact mass: 171.1259 Da
Density: 0.9801 g/mL (at 20 °C)
Boiling point: 92–96 °C (at 11 Torr)
logP: 1.03Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

30727-18-5

SMILES

CCOC(=O)C1CCCCN1C

InChIKey

ZICBNHLULHJETL-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3

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

Names and synonyms

6 names

Ethyl 1-methyl-2-piperidinecarboxylate
2-Piperidinecarboxylic acid, 1-methyl-, ethyl ester
Pipecolic acid, 1-methyl-, ethyl ester
Ethyl 1-methylpipecolate
Ethyl 1-methylpipecolinate
1-Methyl-piperidine-2-carboxylic acid ethyl ester

Work with Ethyl 1-methylpiperidine-2-carboxylate

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

Similar compounds

1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-753 % similar Ethyl cyclohexanecarboxylate3289-28-951 % similar N-Methyl-D-pipecolic acid41447-17-051 % similar Ethyl 1-methyl-3-piperidinecarboxylate5166-67-649 % similar Ethyl cyclobutanecarboxylate14924-53-949 % similar 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-648 % similar Ethyl cyclopropanecarboxylate4606-07-947 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

trans-4-Aminocyclohexane carboxylic acid ethyl ester1678-68-8 Ethyl N-piperidinylacetate23853-10-3 Ethyl 1-methylpiperidine-4-carboxylate24252-37-7 (Diethylamino)ethyl acrylate2426-54-2 (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid261896-39-3 (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-6 L-Cyclohexylalanine27527-05-5 L-Proline 1,1-dimethylethyl ester2812-46-6

Elsewhere

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