benzyl[(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 401630
• Molecular Formular: C23H36N2O
• Molecular Mass: 356.54474
• Monoisotopic Mass: 356.28276378
• SMILES: N1(CCC(CN(Cc2ccccc2)CC2OCCC2)CC1)C1CCCC1
• Canonical SMILES: C1COC(C1)CN(Cc1ccccc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H36N2O/c1-2-7-20(8-3-1)17-24(19-23-11-6-16-26-23)18-21-12-14-25(15-13-21)22-9-4-5-10-22/h1-3,7-8,21-23H,4-6,9-19H2
• InChIKey: ZLDZFCJJDGMFGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: benzyl[(1-cyclopentylpiperidin-4-yl)methyl](oxolan-2-ylmethyl)amine
• Synonyms: N-benzyl-1-(1-cyclopentyl-4-piperidinyl)-N-(tetrahydro-2-furanylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.5565407
• LogD (pH = 7.4): -0.32700396
• Log P: 4.17534
• Molar Refractivity: 109.5377 cm^3
• Polarizability: 43.234924 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.71
• LOG S: -3.06
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7