(4S)-1-(2,6-dimethylpyridin-4-yl)-3,3,4-trimethylpiperidin-4-ol

• ChemBase ID: 589975
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: N1(c2cc(nc(c2)C)C)CC([C@](CC1)(O)C)(C)C
• Canonical SMILES: Cc1cc(cc(n1)C)N1CC[C@](C(C1)(C)C)(C)O
• InChI: InChI=1S/C15H24N2O/c1-11-8-13(9-12(2)16-11)17-7-6-15(5,18)14(3,4)10-17/h8-9,18H,6-7,10H2,1-5H3/t15-/m0/s1
• InChIKey: RXUDCZXYZJMBKV-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-1-(2,6-dimethylpyridin-4-yl)-3,3,4-trimethylpiperidin-4-ol
• IUPAC Traditional name: (4S)-1-(2,6-dimethylpyridin-4-yl)-3,3,4-trimethylpiperidin-4-ol
• Synonyms: (4S*)-1-(2,6-dimethylpyridin-4-yl)-3,3,4-trimethylpiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.504186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2148447
• LogD (pH = 7.4): 0.08028837
• Log P: 1.696669
• Molar Refractivity: 74.6345 cm^3
• Polarizability: 28.719118 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.95
• LOG S: -3.53
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1