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

• ChemBase ID: 698735
• Molecular Formular: C20H25NO
• Molecular Mass: 295.4186
• Monoisotopic Mass: 295.19361443
• SMILES: N1(C[C@H]([C@H](c2cc3c(cc2)cccc3)CC1)O)C1CCCC1
• Canonical SMILES: O[C@@H]1CN(CC[C@H]1c1ccc2c(c1)cccc2)C1CCCC1
• InChI: InChI=1S/C20H25NO/c22-20-14-21(18-7-3-4-8-18)12-11-19(20)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-10,13,18-20,22H,3-4,7-8,11-12,14H2/t19-,20+/m0/s1
• InChIKey: YVRBYOUKOGYEBL-VQTJNVASSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 0.3804592
• LogD (pH = 7.4): 1.4983889
• Log P: 3.8085873
• Molar Refractivity: 90.9216 cm^3
• Polarizability: 36.95711 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.464443
• H Acceptors: 2
• H Donor: 1

供应商提供(Chembridge)

• Log P: 3.88
• LOG S: -3.66
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 1