(3S,4S)-1-(1-aminocyclobutanecarbonyl)-4-(naphthalen-2-yl)piperidin-3-ol

• ChemBase ID: 480576
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: N1(C(=O)C2(N)CCC2)C[C@H]([C@H](c2cc3c(cc2)cccc3)CC1)O
• Canonical SMILES: O[C@@H]1CN(CC[C@H]1c1ccc2c(c1)cccc2)C(=O)C1(N)CCC1
• InChI: InChI=1S/C20H24N2O2/c21-20(9-3-10-20)19(24)22-11-8-17(18(23)13-22)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,12,17-18,23H,3,8-11,13,21H2/t17-,18+/m0/s1
• InChIKey: NTSZGLIVFGAAFW-ZWKOTPCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-1-(1-aminocyclobutanecarbonyl)-4-(naphthalen-2-yl)piperidin-3-ol
• IUPAC Traditional name: (3S,4S)-1-(1-aminocyclobutanecarbonyl)-4-(naphthalen-2-yl)piperidin-3-ol
• Synonyms: (3S*,4S*)-1-[(1-aminocyclobutyl)carbonyl]-4-(2-naphthyl)piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.462005
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8239605
• LogD (pH = 7.4): 0.7610204
• Log P: 1.8949304
• Molar Refractivity: 93.9913 cm^3
• Polarizability: 38.169243 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.4
• LOG S: -3.62
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 2