1-(2-Pyridin-2-yl-ethyl)-piperazine

C₁₁H₁₇N₃CAS 53345-15-6191.28 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₇N₃
Molar mass: 191.28 g/mol
Exact mass: 191.1422 Da
logP: 0.53Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53345-15-6

SMILES

C1CN(CCN1)CCC2=CC=CC=N2

InChIKey

NJUNCRDVGUBYCB-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2

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

Names and synonyms

1 names

Piperazine, 2-pyridylethyl-

Work with 1-(2-Pyridin-2-yl-ethyl)-piperazine

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-Pyridin-2-ylmethyl-piperazine55579-01-672 % similar 1-(2-Phenylethyl)piperazine5321-49-356 % similar N-Methyl-N,N-bis(2-pyridylethyl)amine5452-87-956 % similar TPEN16858-02-952 % similar Pyridinylpiperazine34803-66-251 % similar Betahistine5638-76-651 % similar Dipicolylamine1539-42-050 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-247 % similar

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

Same formula

4-(4-Methylpiperazin-1-yl)aniline16153-81-4 2-(4-Methylpiperazin-1-yl)aniline180605-36-1

Elsewhere

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