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

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H400 Very toxic to aquatic life97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

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

N-Boc-piperidine-2-methanol157634-00-977 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-170 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-870 % similar N-(tert-Butoxycarbonyl)-D-prolinol83435-58-970 % similar 3-(1-(tert-Butoxycarbonyl)piperidin-2-yl)propanoic acid669713-96-670 % similar 2-(Aminomethyl)-1-boc-piperidine370069-31-168 % similar (R)-2-Aminomethyl-1-N-boc-piperidine683233-14-968 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Icaridin119515-38-7 tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate146667-84-7 1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-6 tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-4 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-0

Elsewhere

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