1-(3,5-Dimethoxyphenyl)piperazine

C₁₂H₁₈N₂O₂CAS 53557-93-0222.29 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O₂
Molar mass: 222.29 g/mol
Exact mass: 222.1368 Da
logP: 1.11Crippen estimate
Polar surface area: 33.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53557-93-0

SMILES

COC1=CC(=CC(=C1)N2CCNCC2)OC

InChIKey

COWMQOCYJSUFSB-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O2/c1-15-11-7-10(8-12(9-11)16-2)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3

Weigh it out

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

Work with 1-(3,5-Dimethoxyphenyl)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-(3-Methoxyphenyl)piperazine16015-71-770 % similar 1-(4-Methoxyphenyl)piperazine38212-30-568 % similar 1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-964 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-562 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-762 % similar 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-854 % similar 1-(3,5-Dichlorophenyl)piperazine55827-50-450 % similar 3,5-Dimethoxybenzyl chloride6652-32-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 3-aminobenzylcarbamate147291-66-5 1-(2,4-Dimethoxyphenyl)piperazine16015-75-1 3-(Aminomethyl)-1-N-boc-aniline205318-52-1 tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-4 Isophorone diisocyanate4098-71-9 4-(2-Morpholin-4-ylethoxy)aniline52481-41-1 tert-Butyl N-[(4-aminophenyl)methyl]carbamate94838-55-8

Elsewhere

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