4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine

C₁₅H₂₃N₃OCAS 118288-25-8261.37 g/mol

Open in Covalent MOL file

Alkene Ether Primary amine Tertiary amine

Properties

Molecular formula: C₁₅H₂₃N₃O
Molar mass: 261.37 g/mol
Exact mass: 261.1841 Da
logP: 1.96Crippen estimate
Polar surface area: 51.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

118288-25-8

SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CN

InChIKey

LSWHRGCYVNXXLD-GORDUTHDSA-N

InChI

InChI=1S/C15H23N3O/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18/h2,5-6,8,12H,1,3-4,7,9-11,13,16H2/b5-2+

Weigh it out

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

Work with 4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine

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

1H-Isoindole-1,3(2H)-dione, 2-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2Z)-2-butenedioate (1:1)146447-26-953 % similar Lafutidine118288-08-747 % similar 2-Bromo-4-(1-piperidinylmethyl)pyridine88046-02-047 % similar 1-Benzylpiperidine2905-56-833 % similar 2-Ethoxy-4-pyridinamine89943-12-431 % similar Roxatidine78273-80-031 % similar Piribedil3605-01-431 % similar

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

Elsewhere

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