4-(2-{4-[2-(pyridin-2-yl)piperidine-1-carbonyl]-1H-1,2,3-triazol-1-yl}ethyl)morpholine

• ChemBase ID: 667010
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: c1(C(=O)N2C(c3ncccc3)CCCC2)nnn(c1)CCN1CCOCC1
• Canonical SMILES: O=C(N1CCCCC1c1ccccn1)c1nnn(c1)CCN1CCOCC1
• InChI: InChI=1S/C19H26N6O2/c26-19(25-8-4-2-6-18(25)16-5-1-3-7-20-16)17-15-24(22-21-17)10-9-23-11-13-27-14-12-23/h1,3,5,7,15,18H,2,4,6,8-14H2
• InChIKey: UATOUNHXZREZPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{4-[2-(pyridin-2-yl)piperidine-1-carbonyl]-1H-1,2,3-triazol-1-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{4-[2-(pyridin-2-yl)piperidine-1-carbonyl]-1,2,3-triazol-1-yl}ethyl)morpholine
• Synonyms: 4-[2-(4-{[2-(2-pyridinyl)-1-piperidinyl]carbonyl}-1H-1,2,3-triazol-1-yl)ethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.19835351
• LogD (pH = 7.4): 1.1140852
• Log P: 1.1548119
• Molar Refractivity: 112.7326 cm^3
• Polarizability: 38.76188 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.39
• LOG S: -1.48
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5