4-(1-{[4-(cyclopentyloxy)phenyl]methyl}piperidin-3-yl)morpholine

• ChemBase ID: 362091
• Molecular Formular: C21H32N2O2
• Molecular Mass: 344.49098
• Monoisotopic Mass: 344.24637827
• SMILES: N1(CC(N2CCOCC2)CCC1)Cc1ccc(OC2CCCC2)cc1
• Canonical SMILES: O1CCN(CC1)C1CCCN(C1)Cc1ccc(cc1)OC1CCCC1
• InChI: InChI=1S/C21H32N2O2/c1-2-6-20(5-1)25-21-9-7-18(8-10-21)16-22-11-3-4-19(17-22)23-12-14-24-15-13-23/h7-10,19-20H,1-6,11-17H2
• InChIKey: ZTWVNFUJGGIVHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[4-(cyclopentyloxy)phenyl]methyl}piperidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{[4-(cyclopentyloxy)phenyl]methyl}piperidin-3-yl)morpholine
• Synonyms: 4-{1-[4-(cyclopentyloxy)benzyl]-3-piperidinyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.27230388
• LogD (pH = 7.4): 1.9890682
• Log P: 3.3773818
• Molar Refractivity: 101.7819 cm^3
• Polarizability: 40.193523 Å^3
• Polar Surface Area: 24.94 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: 3.94
• LOG S: -1.74
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5