N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 506877
• Molecular Formular: C17H27N3O2
• Molecular Mass: 305.41518
• Monoisotopic Mass: 305.21032712
• SMILES: [C@@H]1(NC2CCN(Cc3ncccc3)CC2)[C@H](COC1)OCC
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C17H27N3O2/c1-2-22-17-13-21-12-16(17)19-14-6-9-20(10-7-14)11-15-5-3-4-8-18-15/h3-5,8,14,16-17,19H,2,6-7,9-13H2,1H3/t16-,17-/m0/s1
• InChIKey: DJQZYQRYVCUBMS-IRXDYDNUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
• Synonyms: N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.0781107
• LogD (pH = 7.4): -1.3331132
• Log P: 0.63306636
• Molar Refractivity: 86.285 cm^3
• Polarizability: 34.5048 Å^3
• Polar Surface Area: 46.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.8
• LOG S: 0.2
• Polar Surface Area: 46.62 Å^2
• Rotatable Bonds: 6