1-(3-Fluorobenzyl)piperazine

C₁₁H₁₅FN₂CAS 55513-19-4194.25 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₅FN₂
Molar mass: 194.25 g/mol
Exact mass: 194.1219 Da
logP: 1.23Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

55513-19-4

SMILES

Fc1cccc(CN2CCNCC2)c1

InChIKey

ITHBJSRWFNLKIH-UHFFFAOYSA-N

InChI

InChI=1S/C11H15FN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2

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

Names and synonyms

2 names

Piperazine, 1-[(3-fluorophenyl)methyl]-
1-[(3-Fluorophenyl)methyl]piperazine

Work with 1-(3-Fluorobenzyl)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-(3-Methylbenzyl)piperazine5321-48-263 % similar 1-Benzylpiperazine2759-28-661 % similar 1-[(4-Fluorophenyl)methyl]hexahydro-1H-1,4-diazepine76141-89-458 % similar 4-Benzylpiperazine hydrochloride110475-31-556 % similar Benzylpiperazine dihydrochloride5321-63-156 % similar 1-(3-Fluorophenyl)piperazine3801-89-654 % similar 1-(2,6-Dichlorobenzyl)piperazine102292-50-251 % similar 1-Piperonylpiperazine32231-06-449 % similar

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

Elsewhere

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