1-(oxolan-3-ylmethyl)-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine

• ChemBase ID: 519926
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: n1(nccc1)CCC1CCN(CC2COCC2)CC1
• Canonical SMILES: C1OCC(C1)CN1CCC(CC1)CCn1cccn1
• InChI: InChI=1S/C15H25N3O/c1-6-16-18(7-1)10-4-14-2-8-17(9-3-14)12-15-5-11-19-13-15/h1,6-7,14-15H,2-5,8-13H2
• InChIKey: FRVRYKQPZZCQSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-3-ylmethyl)-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-(oxolan-3-ylmethyl)-4-[2-(pyrazol-1-yl)ethyl]piperidine
• Synonyms: 4-[2-(1H-pyrazol-1-yl)ethyl]-1-(tetrahydro-3-furanylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1935148
• LogD (pH = 7.4): -1.3537295
• Log P: 1.2739025
• Molar Refractivity: 88.5022 cm^3
• Polarizability: 29.914474 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.23
• LOG S: -1.16
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5