1-Pyridin-2-ylmethyl-piperazine

C₁₀H₁₅N₃CAS 55579-01-6177.25 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₅N₃
Molar mass: 177.25 g/mol
Exact mass: 177.1266 Da
logP: 0.49Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55579-01-6

SMILES

C1CN(CCN1)CC2=CC=CC=N2

InChIKey

NATRYEXANYVWAW-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N3/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13/h1-4,11H,5-9H2

Weigh it out

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

Names and synonyms

1 names

1-[(Pyridin-2-yl)methyl]piperazine

Work with 1-Pyridin-2-ylmethyl-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-(2-Pyridin-2-yl-ethyl)-piperazine53345-15-672 % similar TPEN16858-02-969 % similar 1-Benzylpiperazine2759-17-353 % similar 1-Benzylpiperazine2759-28-653 % similar Pyridinylpiperazine34803-66-253 % similar Dipicolylamine1539-42-052 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-249 % similar 4-Benzylpiperazine hydrochloride110475-31-549 % similar

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

Same formula

1-(4-Methyl-2-pyridinyl)piperazine34803-67-3 1-[(Pyridin-3-yl)methyl]piperazine39244-80-9 1-((Pyridin-4-yl)methyl)piperazine62089-74-1

Elsewhere

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