4-[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]pyridine

• ChemBase ID: 721233
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(CC=C(C)C)CCC(CC1)c1ccncc1
• Canonical SMILES: CC(=CCN1CCC(CC1)c1ccncc1)C
• InChI: InChI=1S/C15H22N2/c1-13(2)5-10-17-11-6-15(7-12-17)14-3-8-16-9-4-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3
• InChIKey: SKYSIPJUWAPNKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]pyridine
• IUPAC Traditional name: 4-[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]pyridine
• Synonyms: 4-[1-(3-methyl-2-buten-1-yl)-4-piperidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6440245
• LogD (pH = 7.4): 1.1056266
• Log P: 2.6049323
• Molar Refractivity: 73.735 cm^3
• Polarizability: 28.36997 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.7
• LOG S: -0.88
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3