Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate

C₁₄H₁₉NO₃CAS 39945-51-2249.31 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

39945-51-2

SMILES

O=C(OCc1ccccc1)N1CCCC(CO)C1

InChIKey

XLWOOUZKMJBINO-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

4 names

1-Piperidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester
1-Benzyloxycarbonyl-3-piperidinemethanol
3-Hydroxymethylpiperidine-1-carboxylic acid benzyl ester
Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate

Work with Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate

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-hydroxymethylpyrrolidine124391-76-086 % similar Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-174 % similar (R)-3-Amino-1-N-cbz-piperidine1044560-96-466 % similar Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-366 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-162 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-558 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-658 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-558 % similar

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

Same formula

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-7 (S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-0

Elsewhere

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