1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine

C13H17NCAS 32018-56-7187.29 g/mol

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N
AlkeneTertiary amine

Properties

Molecular formula
C13H17N
Molar mass
187.29 g/mol
Exact mass
187.1361 Da
logP
2.84Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
32018-56-7
SMILES
CC1=CCN(CC1)CC2=CC=CC=C2
InChIKey
MKIZSVUTUWPHMD-UHFFFAOYSA-N
InChI
InChI=1S/C13H17N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-7H,8-11H2,1H3

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Names and synonyms

1 names
  • 1-Benzyl-4-methyl-1,2,3,6-tetrahydropyridine

Work with 1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine

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 ester1048976-83-555 % similar 1-Benzyl-4-piperidone3612-20-249 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine40240-12-849 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-647 % similar 1-Benzyl-2,5-dihydro-1H-pyrrole6913-92-447 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-547 % similar Tribenzylamine620-40-645 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Selegiline14611-51-9 1,2,3,4,5,6,7,8-Octahydroacridine1658-08-8 1-Butyl-2-methyl-1H-indole42951-35-9

Elsewhere

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