3-Methyl-1-(phenylmethyl)piperazine

C₁₂H₁₈N₂CAS 3138-90-7190.29 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂
Molar mass: 190.29 g/mol
Exact mass: 190.1470 Da
Boiling point: 90–95 °C (at 0.2 Torr)
logP: 1.48Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
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 6 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

3138-90-7

SMILES

CC1CN(Cc2ccccc2)CCN1

InChIKey

QOFUDSPYJDXBOF-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3

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

Names and synonyms

3 names

Piperazine, 3-methyl-1-(phenylmethyl)-
Piperazine, 1-benzyl-3-methyl-
1-Benzyl-3-methylpiperazine

Work with 3-Methyl-1-(phenylmethyl)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

4-N-Benzyl-2-hydroxymethylpiperazine85817-34-161 % similar 1-Benzylpiperazine2759-17-353 % similar 1-Benzylpiperazine2759-28-653 % similar Phenylmethyl (3S)-3-methyl-1-piperazinecarboxylate612493-87-550 % similar (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine477600-70-749 % similar 4-Benzylpiperazine hydrochloride110475-31-549 % similar 1-Benzyl-1,4-diazepane4410-12-249 % similar Benzylpiperazine dihydrochloride5321-63-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,3-Dimethylphenyl)piperazine1013-22-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 1-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (R)-3-Amino-1-benzylpiperidine168466-84-0 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-9

Elsewhere

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