2-phenyl-1-(1-{spiro[2.3]hexan-1-ylmethyl}piperidin-4-yl)ethan-1-ol

• ChemBase ID: 568928
• Molecular Formular: C20H29NO
• Molecular Mass: 299.45036
• Monoisotopic Mass: 299.22491455
• SMILES: C12(C(C1)CN1CCC(C(Cc3ccccc3)O)CC1)CCC2
• Canonical SMILES: OC(C1CCN(CC1)CC1CC21CCC2)Cc1ccccc1
• InChI: InChI=1S/C20H29NO/c22-19(13-16-5-2-1-3-6-16)17-7-11-21(12-8-17)15-18-14-20(18)9-4-10-20/h1-3,5-6,17-19,22H,4,7-15H2
• InChIKey: ZZAPDSQVUPAWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1-(1-{spiro[2.3]hexan-1-ylmethyl}piperidin-4-yl)ethan-1-ol
• IUPAC Traditional name: 2-phenyl-1-(1-{spiro[2.3]hexan-1-ylmethyl}piperidin-4-yl)ethanol
• Synonyms: 2-phenyl-1-[1-(spiro[2.3]hex-1-ylmethyl)-4-piperidinyl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.834521
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.061196145
• LogD (pH = 7.4): 0.91653997
• Log P: 3.3902175
• Molar Refractivity: 91.3327 cm^3
• Polarizability: 36.0228 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.47
• LOG S: -4.14
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5