N-[2-(naphthalen-1-yl)propan-2-yl]piperidin-4-amine

• ChemBase ID: 379075
• Molecular Formular: C18H24N2
• Molecular Mass: 268.39656
• Monoisotopic Mass: 268.19394878
• SMILES: C(c1c2c(ccc1)cccc2)(NC1CCNCC1)(C)C
• Canonical SMILES: CC(c1cccc2c1cccc2)(NC1CCNCC1)C
• InChI: InChI=1S/C18H24N2/c1-18(2,20-15-10-12-19-13-11-15)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,19-20H,10-13H2,1-2H3
• InChIKey: LJYIHSHGRAVLQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(naphthalen-1-yl)propan-2-yl]piperidin-4-amine
• IUPAC Traditional name: N-[2-(naphthalen-1-yl)propan-2-yl]piperidin-4-amine
• Synonyms: N-[1-methyl-1-(1-naphthyl)ethyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.983907
• LogD (pH = 7.4): -0.96898764
• Log P: 2.8619814
• Molar Refractivity: 84.9696 cm^3
• Polarizability: 35.06228 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.65
• LOG S: -3.27
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3