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

• ChemBase ID: 670895
• Molecular Formular: C15H28N6O
• Molecular Mass: 308.42242
• Monoisotopic Mass: 308.23245955
• SMILES: n1nn(c(n1)C)CCCN1C(CN2CCOCC2)CCCC1
• Canonical SMILES: Cc1nnnn1CCCN1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C15H28N6O/c1-14-16-17-18-21(14)8-4-7-20-6-3-2-5-15(20)13-19-9-11-22-12-10-19/h15H,2-13H2,1H3
• InChIKey: YGIHRJZENQPVHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.1583045
• LogD (pH = 7.4): -1.8222787
• Log P: 0.26465797
• Molar Refractivity: 99.7656 cm^3
• Polarizability: 33.31537 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.12
• LOG S: -1.85
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 6