Methyl N-boc-piperidine-3-carboxylate

C12H21NO4CAS 148763-41-1243.30 g/mol

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CarbamateEster

Properties

Molecular formula
C12H21NO4
Molar mass
243.30 g/mol
Exact mass
243.1471 Da
logP
1.81Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
148763-41-1
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OC
InChIKey
LYYJQMCPEHXOEW-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h9H,5-8H2,1-4H3

Weigh it out

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Names and synonyms

1 names
  • 1-tert-Butyl 3-methyl piperidine-1,3-dicarboxylate

Work with Methyl N-boc-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

Similar compounds

1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-787 % similar (S)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester313706-15-987 % similar 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate441717-40-487 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-476 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-372 % similar 3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester858643-92-267 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-365 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-2 Boc-L-cyclopentylglycine109183-72-4 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid115951-16-1 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-1 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-5 [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-5 tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-8 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-0

Elsewhere

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