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

• ChemBase ID: 579147
• Molecular Formular: C17H30N4
• Molecular Mass: 290.4469
• Monoisotopic Mass: 290.24704698
• SMILES: n1n(cc(n1)CCC)C1CCN(CC1)C1CCCCCC1
• Canonical SMILES: CCCc1nnn(c1)C1CCN(CC1)C1CCCCCC1
• InChI: InChI=1S/C17H30N4/c1-2-7-15-14-21(19-18-15)17-10-12-20(13-11-17)16-8-5-3-4-6-9-16/h14,16-17H,2-13H2,1H3
• InChIKey: AISJEPCXNRDTMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.0903665
• LogD (pH = 7.4): 0.81308746
• Log P: 3.5673501
• Molar Refractivity: 98.2041 cm^3
• Polarizability: 33.796837 Å^3
• Polar Surface Area: 33.95 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 3.19
• LOG S: -3.03
• Polar Surface Area: 33.95 Å^2