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

• ChemBase ID: 515136
• Molecular Formular: C21H38N2O2
• Molecular Mass: 350.53862
• Monoisotopic Mass: 350.29332847
• SMILES: N1(CCC(CN(CC2OCCC2)C2CCOCC2)CC1)C1CCCC1
• Canonical SMILES: O1CCC(CC1)N(CC1CCCO1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C21H38N2O2/c1-2-5-19(4-1)22-11-7-18(8-12-22)16-23(17-21-6-3-13-25-21)20-9-14-24-15-10-20/h18-21H,1-17H2
• InChIKey: CQDCCUNJSCDKKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.54909
• LogD (pH = 7.4): -3.246275
• Log P: 2.4120533
• Molar Refractivity: 103.4006 cm^3
• Polarizability: 40.932724 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -1.76
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6