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

• ChemBase ID: 779341
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: N1(C[C@H]([C@H](c2cc3c(cc2)cccc3)CC1)O)CC1CC1
• Canonical SMILES: O[C@@H]1CN(CC[C@H]1c1ccc2c(c1)cccc2)CC1CC1
• InChI: InChI=1S/C19H23NO/c21-19-13-20(12-14-5-6-14)10-9-18(19)17-8-7-15-3-1-2-4-16(15)11-17/h1-4,7-8,11,14,18-19,21H,5-6,9-10,12-13H2/t18-,19+/m0/s1
• InChIKey: CGZJCXKAURYNIJ-RBUKOAKNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-1-(cyclopropylmethyl)-4-(naphthalen-2-yl)piperidin-3-ol
• IUPAC Traditional name: (3S,4S)-1-(cyclopropylmethyl)-4-(naphthalen-2-yl)piperidin-3-ol
• Synonyms: (3S*,4S*)-1-(cyclopropylmethyl)-4-(2-naphthyl)piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.464897
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.13810986
• LogD (pH = 7.4): 1.1832606
• Log P: 3.2344627
• Molar Refractivity: 86.4504 cm^3
• Polarizability: 35.11007 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.28
• LOG S: -3.05
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3