1-(pyridin-2-ylmethyl)piperidin-3-amine

• ChemBase ID: 584532
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(Cc2ncccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)Cc1ccccn1
• InChI: InChI=1S/C11H17N3/c12-10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9,12H2
• InChIKey: PNWFVUJFAQEPSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: 1-(pyridin-2-ylmethyl)piperidin-3-amine
• Synonyms: 1-(2-pyridinylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.890654
• LogD (pH = 7.4): -1.7307158
• Log P: 0.44702277
• Molar Refractivity: 57.0826 cm^3
• Polarizability: 22.81802 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.03
• LOG S: 0.72
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2