chempirical

1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate

C12H21NO4CAS 124443-68-1243.30 g/mol

Open in Covalent MOL file
OONOO
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 3 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
124443-68-1
SMILES
COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
PTZNCCIULVXFIJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • 1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl ester
  • Methyl 1-tert-butoxycarbonylpiperidine-4-carboxylate
  • NSC 693923
  • 4-(Methoxycarbonyl)piperidine-1-carboxylic acid tert-butyl ester
  • N-Boc-piperidine-4-carboxylic acid methyl ester
  • 1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate
  • tert-Butyl 4-(methoxycarbonyl)piperidine-1-carboxylate
  • 1-O-tert-Butyl 4-O-methyl piperidine-1,4-dicarboxylate
  • 1-N-Boc-4-Piperidinecarboxylic acid methyl ester

Work with 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate

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-dicarboxylate122684-33-784 % similar (S)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester313706-15-984 % similar 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate441717-40-484 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-473 % similar 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-470 % similar 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester206989-61-964 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-363 % similar N-Boc-piperidine-4-carboxylic acid84358-13-463 % 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 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-5 Methyl N-boc-piperidine-3-carboxylate148763-41-1 [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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