N-[2-(morpholin-4-yl)propyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 716422
• Molecular Formular: C18H30N4O
• Molecular Mass: 318.457
• Monoisotopic Mass: 318.2419616
• SMILES: N1(C(CNC2CCN(Cc3ncccc3)CC2)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)CNC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C18H30N4O/c1-16(22-10-12-23-13-11-22)14-20-17-5-8-21(9-6-17)15-18-4-2-3-7-19-18/h2-4,7,16-17,20H,5-6,8-15H2,1H3
• InChIKey: ZDAJREBOPAFFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)propyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-[2-(morpholin-4-yl)propyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
• Synonyms: N-(2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.260271
• LogD (pH = 7.4): -1.8979565
• Log P: 0.63891935
• Molar Refractivity: 93.5904 cm^3
• Polarizability: 37.19121 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: 5
• H Donor: 1
• Log P: 0.61
• LOG S: 0.26
• Polar Surface Area: 40.63 Å^2
• Rotatable Bonds: 6