chempirical

1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate

C11H21NO3CAS 1104083-27-3215.29 g/mol

Open in Covalent MOL file
HONOO
AlcoholCarbamate

Properties

Molecular formula
C11H21NO3
Molar mass
215.29 g/mol
Exact mass
215.1521 Da
logP
1.77Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1104083-27-3
SMILES
CC1(O)CCCN(C(=O)OC(C)(C)C)C1
InChIKey
IWWAIZZOPVWORI-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)12-7-5-6-11(4,14)8-12/h14H,5-8H2,1-4H3

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Names and synonyms

2 names
  • 1-Piperidinecarboxylic acid, 3-hydroxy-3-methyl-, 1,1-dimethylethyl ester
  • tert-Butyl 3-hydroxy-3-methylpiperidine-1-carboxylate

Work with 1,1-Dimethylethyl 3-hydroxy-3-methyl-1-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

Similar compounds

3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-971 % similar tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-861 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-960 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-858 % similar N-Boc-diethanolamine103898-11-951 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-050 % similar 3-Benzyl-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid170838-83-250 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Boc-trans-4-aminocyclohexanol111300-06-2 N-Boc-piperidine-3-methanol116574-71-1 N-Boc-4-piperidinemethanol123855-51-6 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-0 Ethyl butylacetylaminopropionate52304-36-6

Elsewhere

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