ethyl 4-({2-[(pyridin-3-yl)amino]ethyl}amino)piperidine-1-carboxylate

• ChemBase ID: 541738
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: N1(C(=O)OCC)CCC(CC1)NCCNc1cnccc1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)NCCNc1cccnc1
• InChI: InChI=1S/C15H24N4O2/c1-2-21-15(20)19-10-5-13(6-11-19)17-8-9-18-14-4-3-7-16-12-14/h3-4,7,12-13,17-18H,2,5-6,8-11H2,1H3
• InChIKey: SFTRAAVGSRQBBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-({2-[(pyridin-3-yl)amino]ethyl}amino)piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-{[2-(pyridin-3-ylamino)ethyl]amino}piperidine-1-carboxylate
• Synonyms: ethyl 4-{[2-(pyridin-3-ylamino)ethyl]amino}piperidine-1-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3481607
• LogD (pH = 7.4): -2.136406
• Log P: 0.09374765
• Molar Refractivity: 82.9138 cm^3
• Polarizability: 31.690226 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.57
• LOG S: -1.66
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 7