Methyl (3R)-3-piperidinecarboxylate

C7H13NO2CAS 164323-85-7143.19 g/mol

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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
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
164323-85-7
SMILES
COC(=O)[C@@H]1CCCNC1
InChIKey
BCDBHIAXYFPJCT-ZCFIWIBFSA-N
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-4-8-5-6/h6,8H,2-5H2,1H3/t6-/m1/s1

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Names and synonyms

6 names
  • 3-Piperidinecarboxylic acid, methyl ester, (3R)-
  • 3-Piperidinecarboxylic acid, methyl ester, (R)-
  • Methyl (R)-piperidine-3-carboxylate
  • (R)-Piperidine-3-carboxylic acid methyl ester
  • (R)-Methyl piperidine-3-carboxylate
  • 3-Piperidinecarboxylic acid methyl ester (3R)-

Work with Methyl (3R)-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

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 piperidine-3-carboxylate50585-89-2Stereo not defined (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6Salt, enantiomer

Similar compounds

Methyl 3-pyrrolidinecarboxylate98548-90-479 % similar 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

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-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3 Dimethylaminoethyl acrylate2439-35-2

Elsewhere

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