1-[4-(morpholin-4-yl)butyl]-4-phenylpiperidin-4-ol

• ChemBase ID: 700170
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: C1(CCN(CC1)CCCCN1CCOCC1)(c1ccccc1)O
• Canonical SMILES: OC1(CCN(CC1)CCCCN1CCOCC1)c1ccccc1
• InChI: InChI=1S/C19H30N2O2/c22-19(18-6-2-1-3-7-18)8-12-20(13-9-19)10-4-5-11-21-14-16-23-17-15-21/h1-3,6-7,22H,4-5,8-17H2
• InChIKey: VOHMCHBOCQASBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(morpholin-4-yl)butyl]-4-phenylpiperidin-4-ol
• IUPAC Traditional name: 1-[4-(morpholin-4-yl)butyl]-4-phenylpiperidin-4-ol
• Synonyms: 1-[4-(4-morpholinyl)butyl]-4-phenyl-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.999178
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4562013
• LogD (pH = 7.4): -0.4126808
• Log P: 1.5339373
• Molar Refractivity: 94.8182 cm^3
• Polarizability: 37.179573 Å^3
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.51
• LOG S: -1.78
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 6