1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine

C₁₂H₂₃NO₃CAS 89151-44-0229.32 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

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

89151-44-0

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCO

InChIKey

YBNJZIDYXCGAPX-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Boc-4-(2-hydroxyethyl)piperidine

Work with 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine

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 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate156185-63-686 % similar N-Boc-4-piperidinemethanol123855-51-677 % similar N-Boc-diethanolamine103898-11-973 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-170 % similar 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-669 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-668 % similar tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-268 % similar (S)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester199174-24-868 % 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 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

Elsewhere

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