4-(2-{1-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 825336
• Molecular Formular: C16H30N6O
• Molecular Mass: 322.449
• Monoisotopic Mass: 322.24810961
• SMILES: n1nn(c(n1)C)CCCN1C(CCN2CCOCC2)CCCC1
• Canonical SMILES: Cc1nnnn1CCCN1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C16H30N6O/c1-15-17-18-19-22(15)9-4-8-21-7-3-2-5-16(21)6-10-20-11-13-23-14-12-20/h16H,2-14H2,1H3
• InChIKey: GKXQRLQBKPQNDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)propyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-(2-{1-[3-(5-methyl-1H-tetrazol-1-yl)propyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.7936168
• LogD (pH = 7.4): -2.1347392
• Log P: 0.3246177
• Molar Refractivity: 104.631 cm^3
• Polarizability: 35.152958 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.47
• LOG S: -0.95
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 7