1-Methyl-3-phenylpiperazine

C₁₁H₁₆N₂CAS 5271-27-2176.26 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆N₂
Molar mass: 176.26 g/mol
Exact mass: 176.1313 Da
Melting point: 58–60 °C
logP: 1.26Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-309-00-6), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number

5271-27-2

SMILES

CN1CCNC(c2ccccc2)C1

InChIKey

IRMBVBDXXYXPEW-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3

Weigh it out

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

Names and synonyms

2 names

Piperazine, 1-methyl-3-phenyl-
(±)-3-Phenyl-1-methylpiperazine

Work with 1-Methyl-3-phenylpiperazine

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-Methyl-3-phenylpiperidine19509-11-649 % similar tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-448 % similar (αR)-N-Methyl-α-phenyl-1-pyrrolidineethanamine136329-39-047 % similar 2-Phenylpyrrolidine1006-64-047 % similar 2-Phenylpiperidine3466-80-646 % similar 2-Phenylpiperazine5271-26-146 % similar Cyclizine82-92-844 % similar 1-Benzhydryl-N-methyl-3-azetidinamine69159-49-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzyl-3-aminopyrrolidine18471-40-4 4-(Piperidin-1-yl)aniline2359-60-6 1-Benzylpiperazine2759-17-3 1-Benzylpiperazine2759-28-6 2-Mepp39512-51-1 1-(p-Tolyl)piperazine39593-08-3

Elsewhere

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