4-(cyclopentylmethyl)-2-(pyridin-3-yl)morpholine

• ChemBase ID: 851897
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: N1(CC(c2cnccc2)OCC1)CC1CCCC1
• Canonical SMILES: C1CCC(C1)CN1CCOC(C1)c1cccnc1
• InChI: InChI=1S/C15H22N2O/c1-2-5-13(4-1)11-17-8-9-18-15(12-17)14-6-3-7-16-10-14/h3,6-7,10,13,15H,1-2,4-5,8-9,11-12H2
• InChIKey: DRFMBYFSSGDUSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylmethyl)-2-(pyridin-3-yl)morpholine
• IUPAC Traditional name: 4-(cyclopentylmethyl)-2-(pyridin-3-yl)morpholine
• Synonyms: 4-(cyclopentylmethyl)-2-pyridin-3-ylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.04174962
• LogD (pH = 7.4): 1.7436556
• Log P: 2.2079513
• Molar Refractivity: 72.3325 cm^3
• Polarizability: 28.605907 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.18
• LOG S: -0.55
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3