Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

C₁₄H₁₉NO₃CAS 122860-33-7249.31 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₄H₁₉NO₃
Molar mass: 249.31 g/mol
Exact mass: 249.1365 Da
logP: 2.03Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

122860-33-7

SMILES

C1CN(CCC1CO)C(=O)OCC2=CC=CC=C2

InChIKey

LINIORCIRVAZSM-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2

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Names and synonyms

1 names

1-Cbz-4-hydroxymethylpiperidine

Work with Benzyl 4-(hydroxymethyl)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

(S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-085 % similar N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-971 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-571 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-167 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-466 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-365 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-164 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-562 % similar

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

Same formula

(S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-0 Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-2

Elsewhere

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