Methyl pipecolinate

C7H13NO2CAS 41994-45-0143.19 g/mol

Open in Covalent MOL file
OOHN
EsterSecondary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.30Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
41994-45-0
SMILES
COC(=O)C1CCCCN1
InChIKey
CXQTTWVBUDFUNO-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-4-2-3-5-8-6/h6,8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Piperidinecarboxylic acid, methyl ester
  • Methyl α-pipecolinate
  • Methyl 2-piperidinecarboxylate
  • DL-Pipecolic acid methyl ester
  • (±)-2-(Carbomethoxy)piperidine
  • (RS)-2-(methoxycarbonyl)piperidine

Work with Methyl pipecolinate

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

D-Proline methyl ester43041-12-989 % similar Methyl prolinate hydrochloride2133-40-680 % similar (R)-Proline methyl ester hydrochloride65365-28-880 % similar H-Dl-pro-ome hcl79397-50-580 % similar Ethyl 2-piperidinecarboxylate15862-72-364 % similar Ethyl 2-piperidinecarboxylate35677-84-064 % similar Methyl Aziridine-2-carboxylate (stabilized with HQ)5950-34-557 % similar L-Proline 1,1-dimethylethyl ester2812-46-654 % 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 Methyl (3R)-3-piperidinecarboxylate164323-85-7 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

Elsewhere

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