1-(1-ethylpiperidin-3-yl)-4-(piperidin-1-yl)piperidine

• ChemBase ID: 580075
• Molecular Formular: C17H33N3
• Molecular Mass: 279.46402
• Monoisotopic Mass: 279.26744807
• SMILES: N1(C2CN(CCC2)CC)CCC(N2CCCCC2)CC1
• Canonical SMILES: CCN1CCCC(C1)N1CCC(CC1)N1CCCCC1
• InChI: InChI=1S/C17H33N3/c1-2-18-10-6-7-17(15-18)20-13-8-16(9-14-20)19-11-4-3-5-12-19/h16-17H,2-15H2,1H3
• InChIKey: LXCBKAKAZBTIGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-ethylpiperidin-3-yl)-4-(piperidin-1-yl)piperidine
• IUPAC Traditional name: 1-(1-ethylpiperidin-3-yl)-4-(piperidin-1-yl)piperidine
• Synonyms: 1''-ethyl-1,4':1',3''-terpiperidine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -4.9291663
• LogD (pH = 7.4): -2.8120546
• Log P: 1.9083587
• Molar Refractivity: 87.5601 cm^3
• Polarizability: 34.4698 Å^3
• Polar Surface Area: 9.72 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0
• Log P: 1.85
• LOG S: -1.81
• Polar Surface Area: 9.72 Å^2