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

C₁₂H₂₃NO₃CAS 118811-03-3229.32 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: 2.16Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

118811-03-3

SMILES

CC(C)(C)OC(=O)N1CCCCC1CCO

InChIKey

LTVQOFUGXMVESU-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

2-(2-Hydroxy-ethyl)-piperidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 2-(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

tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-170 % similar 1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid669713-96-670 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-862 % similar 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-661 % similar (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid56502-01-361 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-959 % similar 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-753 % similar N-Boc-diethanolamine103898-11-953 % similar

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

Same formula

Icaridin119515-38-7

Elsewhere

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