N-[4-(4-methoxyphenyl)butan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 682821
• Molecular Formular: C20H34N2O
• Molecular Mass: 318.49676
• Monoisotopic Mass: 318.26711372
• SMILES: N1C(CC(CC1(C)C)NC(CCc1ccc(cc1)OC)C)(C)C
• Canonical SMILES: COc1ccc(cc1)CCC(NC1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C20H34N2O/c1-15(7-8-16-9-11-18(23-6)12-10-16)21-17-13-19(2,3)22-20(4,5)14-17/h9-12,15,17,21-22H,7-8,13-14H2,1-6H3
• InChIKey: XQSUQPFXNUEHFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(4-methoxyphenyl)butan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-[4-(4-methoxyphenyl)butan-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: N-[3-(4-methoxyphenyl)-1-methylpropyl]-2,2,6,6-tetramethyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5273173
• LogD (pH = 7.4): -0.7123268
• Log P: 3.5617898
• Molar Refractivity: 97.8144 cm^3
• Polarizability: 39.08022 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.87
• LOG S: -3.82
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 6