1-(1-ethylpiperidine-2-carbonyl)-4-(pyridin-4-yl)piperazine

• ChemBase ID: 865151
• Molecular Formular: C17H26N4O
• Molecular Mass: 302.41454
• Monoisotopic Mass: 302.21066147
• SMILES: C(=O)(N1CCN(c2ccncc2)CC1)C1N(CC)CCCC1
• Canonical SMILES: CCN1CCCCC1C(=O)N1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C17H26N4O/c1-2-19-10-4-3-5-16(19)17(22)21-13-11-20(12-14-21)15-6-8-18-9-7-15/h6-9,16H,2-5,10-14H2,1H3
• InChIKey: PQVFLLBCQXDIHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-ethylpiperidine-2-carbonyl)-4-(pyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(1-ethylpiperidine-2-carbonyl)-4-(pyridin-4-yl)piperazine
• Synonyms: 1-[(1-ethylpiperidin-2-yl)carbonyl]-4-pyridin-4-ylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3711882
• LogD (pH = 7.4): -0.4487452
• Log P: 1.24826
• Molar Refractivity: 88.7159 cm^3
• Polarizability: 33.93999 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.15
• LOG S: -2.39
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 3