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

C₁₂H₂₃NO₃CAS 146667-84-7229.32 g/mol

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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

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-779 % similar tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-879 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-471 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-571 % similar 1-Boc-3-(aminomethyl)piperidine162167-97-771 % similar 1-Boc-3-bromomethylpiperidine193629-39-971 % similar N-Boc-3-piperidineacetic acid183483-09-270 % 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 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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