1-(naphthalen-1-ylmethyl)piperazine dihydrochloride

• ChemBase ID: 263409
• Molecular Formular: C15H20Cl2N2
• Molecular Mass: 299.2387
• Monoisotopic Mass: 298.10035401
• SMILES: c1(CN2CCNCC2)c2c(ccc1)cccc2.Cl.Cl
• Canonical SMILES: N1CCN(CC1)Cc1cccc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C15H18N2.2ClH/c1-2-7-15-13(4-1)5-3-6-14(15)12-17-10-8-16-9-11-17;;/h1-7,16H,8-12H2;2*1H
• InChIKey: FSXOAWLRTDQIJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-1-ylmethyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(naphthalen-1-ylmethyl)piperazine dihydrochloride
• Synonyms: 1-(naphthalen-1-ylmethyl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD13196068
• PubChem SID: 164319319
• PubChem CID: 45792323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0228988
• LogD (pH = 7.4): 0.33066547
• Log P: 2.368191
• Molar Refractivity: 71.8063 cm^3
• Polarizability: 29.524475 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.049

Product Information

• Purity: 95%