3-methyl-1-phenylpiperazine hydrochloride

• ChemBase ID: 144154
• Molecular Formular: C11H17ClN2
• Molecular Mass: 212.71908
• Monoisotopic Mass: 212.10802623
• SMILES: CC1CN(CCN1)c1ccccc1.Cl
• Canonical SMILES: CC1NCCN(C1)c1ccccc1.Cl
• InChI: InChI=1S/C11H16N2.ClH/c1-10-9-13(8-7-12-10)11-5-3-2-4-6-11;/h2-6,10,12H,7-9H2,1H3;1H
• InChIKey: JRDSJYMUTUZVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-phenylpiperazine hydrochloride
• IUPAC Traditional name: 3-methyl-1-phenylpiperazine hydrochloride
• Synonyms: 3-Methyl-1-phenylpiperazine hydrochloride

Database IDs

• MDL Number: MFCD13186043
• PubChem SID: 162238371
• PubChem CID: 47000589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.079709
• LogD (pH = 7.4): 0.38618195
• Log P: 1.9619364
• Molar Refractivity: 55.6608 cm^3
• Polarizability: 21.505178 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H17ClN2

DETAILS

Sigma Aldrich - CBR00746

Other Notes
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Legal Information
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