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

C₁₃H₁₉FN₂OCAS 174561-11-6238.31 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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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