(1-{5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}piperidin-4-yl)methanol

• ChemBase ID: 323237
• Molecular Formular: C21H32N4O3
• Molecular Mass: 388.50378
• Monoisotopic Mass: 388.2474409
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(N2CCC(CC2)CO)cc1
• Canonical SMILES: OCC1CCN(CC1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C21H32N4O3/c26-16-17-3-7-24(8-4-17)20-2-1-18(15-22-20)21(27)25-9-5-19(6-10-25)23-11-13-28-14-12-23/h1-2,15,17,19,26H,3-14,16H2
• InChIKey: GHSPEIUMBTUUAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}piperidin-4-yl)methanol
• IUPAC Traditional name: (1-{5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}piperidin-4-yl)methanol
• Synonyms: (1-{5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-yl}piperidin-4-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.46715
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.6310774
• LogD (pH = 7.4): 0.04015887
• Log P: 0.34303322
• Molar Refractivity: 110.5829 cm^3
• Polarizability: 41.693676 Å^3
• Polar Surface Area: 69.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.44
• LOG S: -2.97
• Polar Surface Area: 69.14 Å^2
• Rotatable Bonds: 4