7-[(4-fluorophenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 324781
• Molecular Formular: C26H35FN4
• Molecular Mass: 422.5813032
• Monoisotopic Mass: 422.28457536
• SMILES: N1(CC2(CN(Cc3ccc(F)cc3)CCC2)CC1)C1CCN(CC1)Cc1ncccc1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1)CCN(C2)C1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C26H35FN4/c27-23-7-5-22(6-8-23)18-30-14-3-11-26(20-30)12-17-31(21-26)25-9-15-29(16-10-25)19-24-4-1-2-13-28-24/h1-2,4-8,13,25H,3,9-12,14-21H2
• InChIKey: HFVOPNVAQUOXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(4-fluorobenzyl)-2-[1-(2-pyridinylmethyl)-4-piperidinyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3381188
• LogD (pH = 7.4): 0.016614046
• Log P: 3.2202055
• Molar Refractivity: 124.9833 cm^3
• Polarizability: 48.69772 Å^3
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.29
• LOG S: -2.56
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 5