chempirical

1-Boc-4-methylpiperidine-4-carboxylic acid

C12H21NO4CAS 189321-63-9243.30 g/mol

Open in Covalent MOL file
NOOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C12H21NO4
Molar mass
243.30 g/mol
Exact mass
243.1471 Da
logP
2.11Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
189321-63-9
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChIKey
OKBNEDPOUYRYNP-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15/h5-8H2,1-4H3,(H,14,15)

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Names and synonyms

1 names
  • 1-[(tert-Butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid

Work with 1-Boc-4-methylpiperidine-4-carboxylic acid

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

1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-159 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-957 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-856 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-856 % similar 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-855 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-055 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-454 % similar (R)-Boc-2-methylproline166170-15-653 % 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 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

Elsewhere

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