chempirical

Ethyl 1-methyl-2-piperidinecarboxylate

C9H17NO2CAS 30727-18-5171.24 g/mol

Open in Covalent MOL file
OON
EsterTertiary 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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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

5 names
  • 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-methyl-2-piperidinecarboxylate

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 cyclobutanecarboxylate14924-53-949 % similar Ethyl cyclopropanecarboxylate4606-07-947 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-345 % similar Ethyl 2-piperidinecarboxylate15862-72-345 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-845 % similar

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

Same formula

Ethyl N-piperidinylacetate23853-10-3 (Diethylamino)ethyl acrylate2426-54-2 (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-6 L-Proline 1,1-dimethylethyl ester2812-46-6 Ethyl 1-methyl-3-piperidinecarboxylate5166-67-6 Gabapentin60142-96-3 Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-3 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-9

Elsewhere

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