1-pentyl-4-(4-propyl-1H-1,2,3-triazol-1-yl)piperidine

• ChemBase ID: 465950
• Molecular Formular: C15H28N4
• Molecular Mass: 264.40962
• Monoisotopic Mass: 264.23139692
• SMILES: n1n(cc(n1)CCC)C1CCN(CC1)CCCCC
• Canonical SMILES: CCCCCN1CCC(CC1)n1nnc(c1)CCC
• InChI: InChI=1S/C15H28N4/c1-3-5-6-10-18-11-8-15(9-12-18)19-13-14(7-4-2)16-17-19/h13,15H,3-12H2,1-2H3
• InChIKey: FOFOBILQNPIONP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-pentyl-4-(4-propyl-1H-1,2,3-triazol-1-yl)piperidine
• IUPAC Traditional name: 1-pentyl-4-(4-propyl-1,2,3-triazol-1-yl)piperidine
• Synonyms: 1-pentyl-4-(4-propyl-1H-1,2,3-triazol-1-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.30583724
• LogD (pH = 7.4): 0.9379816
• Log P: 3.0919785
• Molar Refractivity: 91.0635 cm^3
• Polarizability: 30.841791 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.97
• LOG S: -2.66
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 7