4-(pyridin-2-ylmethyl)piperazin-1-amine dihydrochloride

• ChemBase ID: 71746
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: c1cnc(cc1)CN1CCN(CC1)N.Cl.Cl
• Canonical SMILES: NN1CCN(CC1)Cc1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c11-14-7-5-13(6-8-14)9-10-3-1-2-4-12-10;;/h1-4H,5-9,11H2;2*1H
• InChIKey: JYHYPNKOTUFZHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-ylmethyl)piperazin-1-amine dihydrochloride
• IUPAC Traditional name: 4-(pyridin-2-ylmethyl)piperazin-1-amine dihydrochloride
• Synonyms: 4-(Pyridin-2-ylmethyl)piperazin-1-amine dihydrochloride

Database IDs

• PubChem SID: 162103822
• PubChem CID: 71299920

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4743121
• LogD (pH = 7.4): -0.48363587
• Log P: -0.43262804
• Molar Refractivity: 57.1611 cm^3
• Polarizability: 22.290865 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT