2,2,6,6-tetramethyl-N-(4-phenylbutan-2-yl)piperidin-4-amine

• ChemBase ID: 437319
• Molecular Formular: C19H32N2
• Molecular Mass: 288.47078
• Monoisotopic Mass: 288.25654903
• SMILES: N1C(CC(CC1(C)C)NC(CCc1ccccc1)C)(C)C
• Canonical SMILES: CC(NC1CC(C)(C)NC(C1)(C)C)CCc1ccccc1
• InChI: InChI=1S/C19H32N2/c1-15(11-12-16-9-7-6-8-10-16)20-17-13-18(2,3)21-19(4,5)14-17/h6-10,15,17,20-21H,11-14H2,1-5H3
• InChIKey: YIJPHBCGUJNFOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-(4-phenylbutan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-(4-phenylbutan-2-yl)piperidin-4-amine
• Synonyms: 2,2,6,6-tetramethyl-N-(1-methyl-3-phenylpropyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 91.3512 cm^3
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.36651
• LogD (pH = 7.4): -0.54729027
• Log P: 3.7194612
• Polarizability: 36.604893 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.96
• LOG S: -3.67
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5