1-(3-Methylphenyl)piperazine

C₁₁H₁₆N₂CAS 41186-03-2176.26 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: 125–128 °C
Boiling point: 138–140 °C (at 10 Torr)
logP: 1.40Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

41186-03-2

SMILES

Cc1cccc(N2CCNCC2)c1

InChIKey

JIWHIRLNKIUYSM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

10 names

4-(3-Methylphenyl)piperazine
Piperazine, 1-(3-methylphenyl)-
1-m-Tolylpiperazine
1-(3-Tolyl)piperazine
N-(3-Methylphenyl)piperazine
N-m-Tolylpiperazine
N-(3-Tolyl)piperazine
1-(m-Methylphenyl)piperazine
NSC 150848
NSC 184825

Work with 1-(3-Methylphenyl)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

1-(3-Methylphenyl)piperazine dihydrochloride13078-13-290 % similar 1-(3-Biphenylyl)piperazine115761-61-064 % similar M-Tolyldiethanolamine91-99-664 % similar 1-(3-Chlorophenyl)piperazine6640-24-063 % similar Phenylpiperazine92-54-662 % similar 1-(3-Fluorophenyl)piperazine3801-89-661 % similar N,N-Diethyl-M-toluidine91-67-859 % similar 1-(3-Bromophenyl)piperazine31197-30-559 % 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-Methyl-3-phenylpiperazine5271-27-2 (2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-0

Elsewhere

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