1-(4-Fluorobenzyl)piperazine
Properties
- Molecular formula
- C11H15FN2
- Molar mass
- 194.25 g/mol
- Exact mass
- 194.1219 Da
- logP
- 1.23Crippen estimate
- Polar surface area
- 15.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed84% of notifiers
- H314 Causes severe skin burns and eye damage14% of notifiers
- H315 Causes skin irritation86% of notifiers
- H317 May cause an allergic skin reaction12% of notifiers
- H319 Causes serious eye irritation86% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled12% of notifiers
- H335 May cause respiratory irritation84% of notifiers
- H361 Suspected of damaging fertility or the unborn child12% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
70931-28-1SMILES
C1CN(CCN1)CC2=CC=C(C=C2)FInChIKey
OOSZCNKVJAVHJI-UHFFFAOYSA-NInChI
InChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1-(4-Fluorobenzyl)piperazine
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.
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.