1-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine

• ChemBase ID: 834977
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: n1c(coc1C)CN(C1CCN(CC1)C)CCc1ccccc1
• Canonical SMILES: CN1CCC(CC1)N(Cc1coc(n1)C)CCc1ccccc1
• InChI: InChI=1S/C19H27N3O/c1-16-20-18(15-23-16)14-22(19-9-11-21(2)12-10-19)13-8-17-6-4-3-5-7-17/h3-7,15,19H,8-14H2,1-2H3
• InChIKey: YYPVPHLCIKXXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine
• IUPAC Traditional name: 1-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine
• Synonyms: 1-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-N-(2-phenylethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1992147
• LogD (pH = 7.4): 0.3258717
• Log P: 2.101011
• Molar Refractivity: 94.0473 cm^3
• Polarizability: 36.495686 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.63
• LOG S: -2.72
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6