[2-(piperazin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 273360
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(N2CCNCC2)c(CN)cccn1
• Canonical SMILES: NCc1cccnc1N1CCNCC1
• InChI: InChI=1S/C10H16N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-8,11H2
• InChIKey: NPBXUHDRQDCADB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperazin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(piperazin-1-yl)pyridin-3-yl]methanamine
• Synonyms: [2-(piperazin-1-yl)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD06212865
• PubChem SID: 164329270
• PubChem CID: 52200774

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.729693
• LogD (pH = 7.4): -2.6829426
• Log P: 0.047914855
• Molar Refractivity: 57.872 cm^3
• Polarizability: 22.099339 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.412

Product Information

• Purity: 95%