2,2,6,6-tetramethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]piperidin-4-amine

• ChemBase ID: 619903
• Molecular Formular: C20H31N3
• Molecular Mass: 313.48024
• Monoisotopic Mass: 313.25179801
• SMILES: [nH]1c2c(c(c1)CCNC1CC(NC(C1)(C)C)(C)C)cccc2C
• Canonical SMILES: Cc1cccc2c1[nH]cc2CCNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C20H31N3/c1-14-7-6-8-17-15(13-22-18(14)17)9-10-21-16-11-19(2,3)23-20(4,5)12-16/h6-8,13,16,21-23H,9-12H2,1-5H3
• InChIKey: IAJPUPZUCSUAOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]piperidin-4-amine
• Synonyms: 2,2,6,6-tetramethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.488483
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -2.6103451
• LogD (pH = 7.4): -0.7841052
• Log P: 3.4705007
• Molar Refractivity: 98.4591 cm^3
• Polarizability: 39.92093 Å^3
• Polar Surface Area: 39.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 4.25
• LOG S: -4.11
• Polar Surface Area: 39.85 Å^2
• Rotatable Bonds: 4