1-(2-Furanylcarbonyl)piperazine hydrochloride

C₉H₁₃ClN₂O₂CAS 60548-09-6216.66 g/mol

Open in Covalent MOL file

Amide Secondary amine

Properties

Molecular formula: C₉H₁₃ClN₂O₂
Molar mass: 216.66 g/mol
Exact mass: 216.0666 Da
logP: 0.75Crippen estimate
Polar surface area: 45.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60548-09-6

SMILES

Cl.O=C(c1ccco1)N1CCNCC1

InChIKey

FMFUHCXDFVDINI-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2O2.ClH/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;/h1-2,7,10H,3-6H2;1H

Weigh it out

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

Names and synonyms

5 names

Methanone, 2-furanyl-1-piperazinyl-, hydrochloride (1:1)
Piperazine, 1-(2-furanylcarbonyl)-, monohydrochloride
1-(2-Furoyl)piperazine monohydrochloride
1-(2-Furoyl)piperazine hydrochloride
1-(Furan-2-carbonyl)piperazine hydrochloride

Work with 1-(2-Furanylcarbonyl)piperazine hydrochloride

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.

1-(2-Furoyl)piperazine40172-95-0Free base

Similar compounds

Benzoylpiperazine hydrochloride56227-55-559 % similar 1-Benzoylpiperazine13754-38-651 % similar 1-(2-Chloro-benzoyl)-piperazine13754-45-549 % similar Prazosin hydrochloride19237-84-444 % similar Benzyl piperazine-1-carboxylate31166-44-642 % similar 1-(4-Methoxybenzoyl)-piperazine94747-49-642 % similar Prazosin19216-56-941 % similar Alpha-furil492-94-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-1 H-Tyr-nh2 hcl53559-18-5 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-5

Elsewhere

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