1-Boc-4-(hydroxymethyl)-4-methyl-piperidine

C₁₂H₂₃NO₃CAS 236406-21-6229.32 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: 1

Identifiers

CAS number

236406-21-6

SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)CO

InChIKey

YFYSPIRFZKBBAU-UHFFFAOYSA-N

InChI

InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3

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Names and synonyms

1 names

1-Boc-4-(hydroxymethyl)-4-methylpiperidine

Work with 1-Boc-4-(hydroxymethyl)-4-methyl-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

1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-170 % similar N-Boc-diethanolamine103898-11-965 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-963 % similar tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-659 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-859 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-859 % similar 7-Boc-7-azaspiro[3.5]nonane-2-methanol1356476-27-159 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-258 % 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 tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-4

Elsewhere

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