5-[5-(piperidin-1-ylmethyl)pyridin-2-yl]pyridin-3-amine

• ChemBase ID: 659709
• Molecular Formular: C16H20N4
• Molecular Mass: 268.3568
• Monoisotopic Mass: 268.16879666
• SMILES: n1c(c2cc(N)cnc2)ccc(CN2CCCCC2)c1
• Canonical SMILES: Nc1cncc(c1)c1ccc(cn1)CN1CCCCC1
• InChI: InChI=1S/C16H20N4/c17-15-8-14(10-18-11-15)16-5-4-13(9-19-16)12-20-6-2-1-3-7-20/h4-5,8-11H,1-3,6-7,12,17H2
• InChIKey: AATKQMJDOMAHOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(piperidin-1-ylmethyl)pyridin-2-yl]pyridin-3-amine
• IUPAC Traditional name: 5-[5-(piperidin-1-ylmethyl)pyridin-2-yl]pyridin-3-amine
• Synonyms: 5-(piperidin-1-ylmethyl)-2,3'-bipyridin-5'-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.683306
• LogD (pH = 7.4): 0.029214084
• Log P: 1.5338136
• Molar Refractivity: 81.8935 cm^3
• Polarizability: 32.52507 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.85
• LOG S: -0.88
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 3