3-(benzyloxy)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine

• ChemBase ID: 494631
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: n1n2c(cc1CN1CC(OCc3ccccc3)CCC1)CNCC2
• Canonical SMILES: c1ccc(cc1)COC1CCCN(C1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C19H26N4O/c1-2-5-16(6-3-1)15-24-19-7-4-9-22(14-19)13-17-11-18-12-20-8-10-23(18)21-17/h1-3,5-6,11,19-20H,4,7-10,12-15H2
• InChIKey: YLVHSGQSVGHFOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine
• IUPAC Traditional name: 3-(benzyloxy)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine
• Synonyms: 2-{[3-(benzyloxy)-1-piperidinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7526501
• LogD (pH = 7.4): 1.2880309
• Log P: 1.8738617
• Molar Refractivity: 107.0057 cm^3
• Polarizability: 37.348476 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.06
• LOG S: -1.48
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 5