tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate

C₁₂H₂₃NO₃CAS 146667-84-7229.32 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₂H₂₃NO₃
Molar mass: 229.32 g/mol
Exact mass: 229.1678 Da
logP: 2.02Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

146667-84-7

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CCO

InChIKey

DXABICKZWDHPIP-UHFFFAOYSA-N

InChI

InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-13)6-8-14/h10,14H,4-9H2,1-3H3

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Names and synonyms

1 names

3-(2-Hydroxyethyl)piperidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 3-(2-hydroxyethyl)piperidine-1-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

N-Boc-piperidine-3-methanol116574-71-179 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-571 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-666 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-363 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-362 % similar N-Boc-diethanolamine103898-11-961 % similar 1-Boc-piperidine-3-carboxaldehyde118156-93-760 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-958 % similar

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

Same formula

tert-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate118811-03-3 Icaridin119515-38-7

Elsewhere

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