1-benzyl-N-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}piperidin-4-amine

• ChemBase ID: 614263
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c1(N2CCOCC2)c(CNC2CCN(Cc3ccccc3)CC2)cccn1
• Canonical SMILES: O1CCN(CC1)c1ncccc1CNC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C22H30N4O/c1-2-5-19(6-3-1)18-25-11-8-21(9-12-25)24-17-20-7-4-10-23-22(20)26-13-15-27-16-14-26/h1-7,10,21,24H,8-9,11-18H2
• InChIKey: WUUCYEUHEXBSMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}piperidin-4-amine
• IUPAC Traditional name: 1-benzyl-N-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}piperidin-4-amine
• Synonyms: 1-benzyl-N-{[2-(4-morpholinyl)-3-pyridinyl]methyl}-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.4642706
• LogD (pH = 7.4): 0.17833935
• Log P: 2.5492024
• Molar Refractivity: 111.0294 cm^3
• Polarizability: 42.720886 Å^3
• Polar Surface Area: 40.63 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: 2.23
• LOG S: -2.48
• Polar Surface Area: 40.63 Å^2
• Rotatable Bonds: 6