N-methyl-4-[2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 339033
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: C(=O)(N1C(CCc2ccccc2)CCCC1)c1cc(ncc1)NC
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCCCC1CCc1ccccc1
• InChI: InChI=1S/C20H25N3O/c1-21-19-15-17(12-13-22-19)20(24)23-14-6-5-9-18(23)11-10-16-7-3-2-4-8-16/h2-4,7-8,12-13,15,18H,5-6,9-11,14H2,1H3,(H,21,22)
• InChIKey: GLEAJMKULAGNPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-4-[2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-methyl-4-{[2-(2-phenylethyl)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.400636
• LogD (pH = 7.4): 3.4874022
• Log P: 3.4886377
• Molar Refractivity: 99.061 cm^3
• Polarizability: 37.006233 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.38
• LOG S: -4.45
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5