1-((4-Methoxyphenyl)methyl)piperazine

C₁₂H₁₈N₂OCAS 21867-69-6206.29 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: 1.10Crippen estimate
Polar surface area: 24.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

21867-69-6

SMILES

COC1=CC=C(C=C1)CN2CCNCC2

InChIKey

MGLUVVBFISROAH-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3

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Names and synonyms

1 names

1-(4-Methoxybenzyl)piperazine

Work with 1-((4-Methoxyphenyl)methyl)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-(4-Methoxyphenyl)piperazine38212-30-559 % similar 1-Benzylpiperazine2759-17-356 % similar 1-Benzylpiperazine2759-28-656 % similar Plerixafor110078-46-156 % similar 1-(4-Chlorobenzyl)piperazine23145-88-256 % similar 1-(4-Fluorobenzyl)piperazine70931-28-156 % similar 4-Piperazin-1-ylmethyl-benzoic acid methyl ester86620-81-755 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-554 % 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-(2-Phenoxyethyl)piperazine13484-37-2 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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