1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester

C₁₈H₂₆BNO₂CAS 1048976-83-5299.22 g/mol

Open in Covalent MOL file

Alkene Boronic ester Tertiary amine

Properties

Molecular formula: C₁₈H₂₆BNO₂
Molar mass: 299.22 g/mol
Exact mass: 299.2057 Da
logP: 3.45Crippen estimate
Polar surface area: 21.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

1048976-83-5

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)CC3=CC=CC=C3

InChIKey

SBZWAVVCJBBNSM-UHFFFAOYSA-N

InChI

InChI=1S/C18H26BNO2/c1-17(2)18(3,4)22-19(21-17)16-10-12-20(13-11-16)14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3

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Names and synonyms

1 names

1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1,2,3,6-tetrahydropyridine

Work with 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester

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

Phenylmethyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate286961-15-760 % similar 1-Benzyl-3,3-dimethylpiperidin-4-one173186-91-942 % similar 1-Benzyl-4-piperidone3612-20-240 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-639 % similar 4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide1092563-25-139 % similar 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1227068-84-939 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-538 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-937 % similar

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

Elsewhere

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