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

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

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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 (αR)-N-Methyl-α-phenyl-1-pyrrolidineethanamine136329-39-047 % similar 2-Phenylpyrrolidine1006-64-047 % similar 2-Phenylpiperidine3466-80-646 % similar Cyclizine82-92-844 % similar Cyclizine hydrochloride303-25-341 % similar 1-(1-Phenylethyl)piperazine69628-75-738 % similar 3-Methyl-1-(phenylmethyl)piperazine3138-90-738 % 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-Benzylpiperazine2759-28-6 1-(2-Methylphenyl)piperazine39512-51-1 1-(4-Methylphenyl)piperazine39593-08-3 1-(3-Methylphenyl)piperazine41186-03-2 (2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-0

Elsewhere

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