Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-B]pyridine

C₁₄H₂₀N₂CAS 128740-14-7216.33 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₄H₂₀N₂
Molar mass: 216.33 g/mol
Exact mass: 216.1626 Da
logP: 1.87Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

128740-14-7

SMILES

c1ccc(CN2CC3CCCNC3C2)cc1

InChIKey

AFYZAHZKOFBVLE-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2

Weigh it out

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

Names and synonyms

4 names

1H-Pyrrolo[3,4-b]pyridine, octahydro-6-(phenylmethyl)-
6-Benzyloctahydropyrrolo[3,4-b]pyridine
8-Benzyl-2,8-diazabicyclo[4.3.0]octane
6-Benzyloctahydro-1H-pyrrolo[3,4-b]piperidine

Work with Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-B]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

Rel-(3ar,6as)-octahydro-2-(phenylmethyl)pyrrolo[3,4-C]pyrrole172739-04-754 % similar N-Benzyl-3-hydroxyazetidine54881-13-945 % similar 3-Methyl-1-(phenylmethyl)piperazine3138-90-744 % similar (2S)-2-(Diphenylmethyl)pyrrolidine119237-64-844 % similar Tribenzylamine620-40-642 % similar 1-Benzylpiperazine2759-28-642 % similar 1-Benzyl-3-hydroxypiperidine14813-01-542 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-142 % similar

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

Elsewhere

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