1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol

• ChemBase ID: 693860
• Molecular Formular: C15H21NO
• Molecular Mass: 231.33334
• Monoisotopic Mass: 231.1623143
• SMILES: C1(CC1)(CN1CCC(CC1)O)c1ccccc1
• Canonical SMILES: OC1CCN(CC1)CC1(CC1)c1ccccc1
• InChI: InChI=1S/C15H21NO/c17-14-6-10-16(11-7-14)12-15(8-9-15)13-4-2-1-3-5-13/h1-5,14,17H,6-12H2
• InChIKey: JGFAOTZKLBESIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol
• IUPAC Traditional name: 1-[(1-phenylcyclopropyl)methyl]piperidin-4-ol
• Synonyms: 1-[(1-phenylcyclopropyl)methyl]-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.179288
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4057891
• LogD (pH = 7.4): 0.18245845
• Log P: 1.8006111
• Molar Refractivity: 70.1475 cm^3
• Polarizability: 27.530184 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.66
• LOG S: -2.24
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3