chempirical

Methyl piperidine-3-carboxylate

C7H13NO2CAS 50585-89-2143.19 g/mol

Open in Covalent MOL file
OONH
EsterSecondary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.16Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50585-89-2
SMILES
COC(=O)C1CCCNC1
InChIKey
BCDBHIAXYFPJCT-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-4-8-5-6/h6,8H,2-5H2,1H3

Weigh it out

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

Work with Methyl piperidine-3-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl (3R)-3-piperidinecarboxylate164323-85-7Defined stereoisomer (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6Salt, defined stereoisomer

Similar compounds

Methyl 3-pyrrolidinecarboxylate hcl198959-37-472 % similar (R)-Methyl pyrrolidine-3-carboxylate hydrochloride874964-22-472 % similar (-)-Ethyl nipecotate25137-01-365 % similar (+)-Ethyl nipecotate37675-18-665 % similar Ethyl nipecotate5006-62-265 % similar Ethyl nipecotate71962-74-865 % similar Methyl cyclopentanecarboxylate4630-80-262 % similar Cyclobutanecarboxylic acid methyl ester765-85-562 % similar

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

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropionitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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