Ethyl 1-methyl-3-piperidinecarboxylate

C9H17NO2CAS 5166-67-6171.24 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
0.981 g/mL (at 20 °C)
Boiling point
105–107 °C (at 2.5 Torr)
logP
0.89Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5166-67-6
SMILES
CCOC(=O)C1CCCN(C)C1
InChIKey
VFJJNMLPRDRTCO-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 3-Piperidinecarboxylic acid, 1-methyl-, ethyl ester
  • Nipecotic acid, 1-methyl-, ethyl ester
  • Ethyl 1-methylnipecotate
  • Ethyl N-methylnipecotate
  • NSC 64739
  • Ethyl 1-methylpiperidine-3-carboxylate

Work with Ethyl 1-methyl-3-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-Methylnipecotinic acid methyl ester1690-72-867 % similar Ethyl cyclobutanecarboxylate14924-53-961 % similar Ethyl cyclohexanecarboxylate3289-28-959 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-357 % similar Ethyl cyclopropanecarboxylate4606-07-955 % similar Ethyl 1-benzylpiperidine-3-carboxylate72551-53-254 % similar 1-Methylpiperidine-3-carboxylic acid5657-70-553 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-251 % 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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