chempirical

Phenylmethyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate

C19H26BNO4CAS 286961-15-7343.23 g/mol

Open in Covalent MOL file
OBNOOO
AlkeneBoronic esterCarbamate

Properties

Molecular formula
C19H26BNO4
Molar mass
343.23 g/mol
Exact mass
343.1955 Da
logP
3.59Crippen estimate
Polar surface area
48.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
286961-15-7
SMILES
CC1(C)OB(C2=CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C
InChIKey
QDSFHRPYZPQWEJ-UHFFFAOYSA-N
InChI
InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3

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Names and synonyms

4 names
  • 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester
  • Benzyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridine-1-carboxylate
  • 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester
  • Benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate

Work with Phenylmethyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate

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-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-560 % similar Benzyl 4-oxo-1-piperidinecarboxylate19099-93-552 % similar Benzyl 3-pyrroline-1-carboxylate31970-04-451 % similar Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-651 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-846 % similar 4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-345 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-944 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-144 % similar

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

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