chempirical

1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)piperazine

C13H19FN2OCAS 174561-11-6238.31 g/mol

Open in Covalent MOL file
NNHOF
AlcoholAryl halideTertiary amine

Properties

Molecular formula
C13H19FN2O
Molar mass
238.31 g/mol
Exact mass
238.1481 Da
logP
0.94Crippen estimate
Polar surface area
26.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

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
174561-11-6
SMILES
C1CN(CCN1CCO)CC2=CC=C(C=C2)F
InChIKey
KCZHNDKCJQKXCG-UHFFFAOYSA-N
InChI
InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2

Weigh it out

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Work with 1-(4-Fluorobenzyl)-4-(2-hydroxyethyl)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

2,2'-((Phenylmethyl)imino)bisethanol101-32-658 % similar 1-(4-Fluorobenzyl)piperazine70931-28-158 % similar 4-Fluorobenzeneethanol7589-27-753 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-453 % similar 1-[(4-Fluorophenyl)methyl]hexahydro-1H-1,4-diazepine76141-89-451 % similar 4-Fluorobenzyl alcohol459-56-345 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-145 % similar 1-Aziridineethanol1072-52-244 % similar

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

Elsewhere

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