N-(3,3-diphenylpropyl)-1-[4-(morpholine-4-carbonyl)phenyl]piperidin-4-amine

• ChemBase ID: 477906
• Molecular Formular: C31H37N3O2
• Molecular Mass: 483.64438
• Monoisotopic Mass: 483.28857744
• SMILES: C(=O)(N1CCOCC1)c1ccc(N2CCC(CC2)NCCC(c2ccccc2)c2ccccc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCCC(c1ccccc1)c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C31H37N3O2/c35-31(34-21-23-36-24-22-34)27-11-13-29(14-12-27)33-19-16-28(17-20-33)32-18-15-30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28,30,32H,15-24H2
• InChIKey: VRZAOPMCWOZRQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-1-[4-(morpholine-4-carbonyl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-1-[4-(morpholine-4-carbonyl)phenyl]piperidin-4-amine
• Synonyms: N-(3,3-diphenylpropyl)-1-[4-(4-morpholinylcarbonyl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4520159
• LogD (pH = 7.4): 1.9338315
• Log P: 4.683066
• Molar Refractivity: 147.2015 cm^3
• Polarizability: 56.297886 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.51
• LOG S: -6.31
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 8