1-(2-Phenoxyethyl)piperazine

C₁₂H₁₈N₂OCAS 13484-37-2206.29 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O
Molar mass: 206.29 g/mol
Exact mass: 206.1419 Da
logP: 0.97Crippen estimate
Polar surface area: 24.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

13484-37-2

SMILES

C1CN(CCN1)CCOC2=CC=CC=C2

InChIKey

PTJSLCXRMMGRLY-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2

Weigh it out

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

Names and synonyms

1 names

1-(2-Phenoxyethyl)-piperazine

Work with 1-(2-Phenoxyethyl)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-(2-Benzyloxy-ethyl)-piperazine4981-85-559 % similar 1-(2-Phenylethyl)piperazine5321-49-355 % similar 1,2-Diphenoxyethane104-66-552 % similar 1-Benzylpiperazine2759-17-350 % similar 1-Benzylpiperazine2759-28-650 % similar 4-(2-Piperazin-1-yl-ethyl)-morpholine4892-89-147 % similar Tesmilifene98774-23-346 % similar 1-(2-Pyridin-2-yl-ethyl)-piperazine53345-15-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-7 (2-(4-Methylpiperazin-1-yl)phenyl)methanol123987-12-2 1-(2-Ethoxyphenyl)piperazine13339-01-0 1-((4-Methoxyphenyl)methyl)piperazine21867-69-6 Isoproturon34123-59-6 1-(4-Ethoxyphenyl)piperazine46415-29-6 N-[3-(Diethylamino)phenyl]acetamide6375-46-8 4-N-Benzyl-2-hydroxymethylpiperazine85817-34-1

Elsewhere

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