(2-(4-Methylpiperazin-1-yl)phenyl)methanol

C₁₂H₁₈N₂OCAS 123987-12-2206.29 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O
Molar mass: 206.29 g/mol
Exact mass: 206.1419 Da
logP: 0.93Crippen estimate
Polar surface area: 26.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

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

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

Identifiers

CAS number

123987-12-2

SMILES

CN1CCN(CC1)C2=CC=CC=C2CO

InChIKey

TWPYBKBPHCMUIS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

[2-(4-Methylpiperazin-1-yl)phenyl]methanol

Work with (2-(4-Methylpiperazin-1-yl)phenyl)methanol

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-(4-Methylpiperazin-1-yl)aniline180605-36-154 % similar 2-(4-Methylpiperazino)benzaldehyde85803-62-950 % similar 1,2-Benzenedimethanol612-14-645 % similar 2-Methylbenzyl alcohol89-95-241 % similar 2-(Aminomethyl)-N,N-dipropylaniline1020969-90-741 % similar 1-(2-Ethylphenyl)piperazine40224-10-041 % similar 1-(3-Hydroxymethyl-2-pyridyl)-4-methyl-2-phenylpiperazine61337-89-140 % similar 2-[2-(Aminomethyl)(ethyl)anilino]-1-ethanol1178469-53-840 % 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 1-(2-Ethoxyphenyl)piperazine13339-01-0 1-(2-Phenoxyethyl)piperazine13484-37-2 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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