(2R)-1-benzyl-2-methylpiperazine hydrochloride

• ChemBase ID: 293337
• Molecular Formular: C12H19ClN2
• Molecular Mass: 226.74566
• Monoisotopic Mass: 226.1236763
• SMILES: C[C@H]1N(Cc2ccccc2)CCNC1.Cl
• Canonical SMILES: C[C@@H]1CNCCN1Cc1ccccc1.Cl
• InChI: InChI=1S/C12H18N2.ClH/c1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3;1H/t11-;/m1./s1
• InChIKey: ZWNGBJWPPPPFST-RFVHGSKJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-benzyl-2-methylpiperazine hydrochloride
• IUPAC Traditional name: (2R)-1-benzyl-2-methylpiperazine hydrochloride
• Synonyms: (R)-1-Benzyl-2-methylpiperazine hydrochloride

Database IDs

• PubChem SID: 180678868
• PubChem CID: 71748345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6167347
• LogD (pH = 7.4): -0.3128285
• Log P: 1.7952893
• Molar Refractivity: 59.7749 cm^3
• Polarizability: 23.753328 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%