4-(1-{[2-(piperidin-1-yl)pyrimidin-5-yl]methyl}azetidin-3-yl)morpholine

• ChemBase ID: 448355
• Molecular Formular: C17H27N5O
• Molecular Mass: 317.42918
• Monoisotopic Mass: 317.22156051
• SMILES: c1(ncc(CN2CC(N3CCOCC3)C2)cn1)N1CCCCC1
• Canonical SMILES: C1CCN(CC1)c1ncc(cn1)CN1CC(C1)N1CCOCC1
• InChI: InChI=1S/C17H27N5O/c1-2-4-22(5-3-1)17-18-10-15(11-19-17)12-20-13-16(14-20)21-6-8-23-9-7-21/h10-11,16H,1-9,12-14H2
• InChIKey: GYWFCMPDIBLCSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[2-(piperidin-1-yl)pyrimidin-5-yl]methyl}azetidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{[2-(piperidin-1-yl)pyrimidin-5-yl]methyl}azetidin-3-yl)morpholine
• Synonyms: 4-{1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]azetidin-3-yl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.06578348
• LogD (pH = 7.4): 1.2329048
• Log P: 1.3167144
• Molar Refractivity: 92.5764 cm^3
• Polarizability: 35.17405 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.05
• LOG S: -0.55
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 4