4-{4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl}-N-methylpyridin-2-amine

• ChemBase ID: 671535
• Molecular Formular: C19H22FN3O
• Molecular Mass: 327.3958832
• Monoisotopic Mass: 327.17469056
• SMILES: C(=O)(N1CCC(Cc2ccc(F)cc2)CC1)c1cc(ncc1)NC
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCC(CC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C19H22FN3O/c1-21-18-13-16(6-9-22-18)19(24)23-10-7-15(8-11-23)12-14-2-4-17(20)5-3-14/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,21,22)
• InChIKey: XNORZUSIIGCJML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8900018
• LogD (pH = 7.4): 2.9780061
• Log P: 2.9792612
• Molar Refractivity: 94.8832 cm^3
• Polarizability: 34.740643 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.91
• LOG S: -4.07
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4