N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine

• ChemBase ID: 314247
• Molecular Formular: C19H31N3
• Molecular Mass: 301.46954
• Monoisotopic Mass: 301.25179801
• SMILES: C(C1CC1)(c1nccc(c1)C)NC1CCN(CC1)CC(C)C
• Canonical SMILES: CC(CN1CCC(CC1)NC(c1nccc(c1)C)C1CC1)C
• InChI: InChI=1S/C19H31N3/c1-14(2)13-22-10-7-17(8-11-22)21-19(16-4-5-16)18-12-15(3)6-9-20-18/h6,9,12,14,16-17,19,21H,4-5,7-8,10-11,13H2,1-3H3
• InChIKey: RUBCXXZCBUTVBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
• IUPAC Traditional name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
• Synonyms: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-1-isobutylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8387775
• LogD (pH = 7.4): 0.46158248
• Log P: 3.1724584
• Molar Refractivity: 92.5507 cm^3
• Polarizability: 36.766872 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.21
• LOG S: -1.83
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6