1-(2-Pyridyl)piperazine monohydrochloride

C₉H₁₄ClN₃CAS 129394-11-2199.68 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₉H₁₄ClN₃
Molar mass: 199.68 g/mol
Exact mass: 199.0876 Da
logP: 0.91Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

129394-11-2

SMILES

C1CN(CCN1)C2=CC=CC=N2.Cl

InChIKey

XQVSONPKJXNWJO-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N3.ClH/c1-2-4-11-9(3-1)12-7-5-10-6-8-12;/h1-4,10H,5-8H2;1H

Weigh it out

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

Work with 1-(2-Pyridyl)piperazine monohydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyridinylpiperazine34803-66-2Free base

Similar compounds

2-(1-Piperazinyl)pyrimidine dihydrochloride94021-22-461 % similar 1-Phenylpiperazine hydrochloride2210-93-755 % similar Pyrimidinylpiperazine20980-22-752 % similar 1-Piperazinylpyrazine34803-68-451 % similar Tripelennamine hydrochloride154-69-850 % similar 1-(4-Methyl-2-pyridinyl)piperazine34803-67-350 % similar 6-Piperazinonicotinonitrile149554-29-049 % similar 1-Pyridin-2-ylmethyl-piperazine55579-01-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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