4-N-Benzyl-2-hydroxymethylpiperazine

C₁₂H₁₈N₂OCAS 85817-34-1206.29 g/mol

Open in Covalent MOL file

Alcohol Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O
Molar mass: 206.29 g/mol
Exact mass: 206.1419 Da
logP: 0.45Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

85817-34-1

SMILES

C1CN(CC(N1)CO)CC2=CC=CC=C2

InChIKey

PJMFGDYBTJEEDP-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2

Weigh it out

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

Names and synonyms

1 names

(4-Benzylpiperazin-2-yl)methanol

Work with 4-N-Benzyl-2-hydroxymethylpiperazine

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

3-Methyl-1-(phenylmethyl)piperazine3138-90-761 % similar 1-Benzylpyrrolidin-3-yl-methanol5731-17-958 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-454 % similar 1-(Phenylmethyl)-4-piperidinemethanol67686-01-553 % similar 1-Benzylpiperazine2759-17-351 % similar 1-Benzylpiperazine2759-28-651 % similar (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-950 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-449 % 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 1-((4-Methoxyphenyl)methyl)piperazine21867-69-6 Isoproturon34123-59-6 1-(4-Ethoxyphenyl)piperazine46415-29-6 N-[3-(Diethylamino)phenyl]acetamide6375-46-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook