1-benzylpiperazine hydrochloride

• ChemBase ID: 180009
• Molecular Formular: C11H17ClN2
• Molecular Mass: 212.71908
• Monoisotopic Mass: 212.10802623
• SMILES: N1(CCNCC1)Cc1ccccc1.Cl
• Canonical SMILES: N1CCN(CC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C11H16N2.ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H
• InChIKey: HRSFWIYFGGDGQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylpiperazine hydrochloride
• IUPAC Traditional name: benzylpiperazine hydrochloride
• Synonyms: 1-Benzylpiperazine HCl; N-Benzylpiperazine hydrochloride

Database IDs

• CAS Number: 110475-31-5; 11475-31-5
• PubChem SID: 164235919
• PubChem CID: 2756653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9155949
• LogD (pH = 7.4): -0.56014395
• Log P: 1.3787142
• Molar Refractivity: 55.3561 cm^3
• Polarizability: 21.906347 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%