1-(4-Fluorobenzyl)piperazine

C₁₁H₁₅FN₂CAS 70931-28-1194.25 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

70931-28-1

SMILES

C1CN(CCN1)CC2=CC=C(C=C2)F

InChIKey

OOSZCNKVJAVHJI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1-(4-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

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-(4-Fluorobenzyl)piperazine 2,2,2-trifluoroacetate435345-45-2Salt

Similar compounds

1-[(4-Fluorophenyl)methyl]hexahydro-1H-1,4-diazepine76141-89-486 % similar 1-Benzylpiperazine2759-17-362 % similar 1-Benzylpiperazine2759-28-662 % similar Plerixafor110078-46-161 % similar 1-(4-Chlorobenzyl)piperazine23145-88-261 % similar 1-((Pyridin-4-yl)methyl)piperazine62089-74-158 % similar 1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine174561-11-658 % similar 4-Benzylpiperazine hydrochloride110475-31-556 % similar

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

Same formula

N-(4-Fluorophenyl)-4-piperidinamine38043-08-2 1-(3-Fluorobenzyl)piperazine55513-19-4 1-(2-Fluorobenzyl)piperazine89292-78-4

Elsewhere

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