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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P391, P405, P501

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

5 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
6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine

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 (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-545 % similar N-Benzyl-3-hydroxyazetidine54881-13-945 % similar (3S,4S)-1-Benzylpyrrolidine-3,4-diol90365-74-545 % similar 3-Methyl-1-(phenylmethyl)piperazine3138-90-744 % similar (2S)-2-(Diphenylmethyl)pyrrolidine119237-64-844 % similar (R)-(+)-2-(Diphenylmethyl)pyrrolidine22348-31-844 % similar (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine477600-70-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Heptylbenzimidazole5851-49-0 3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane (3-exo)-76272-36-1

Elsewhere

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