4-[3-(2-phenylethyl)piperidine-1-carbonyl]pyridine

• ChemBase ID: 699626
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: N1(C(=O)c2ccncc2)CC(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccncc1)N1CCCC(C1)CCc1ccccc1
• InChI: InChI=1S/C19H22N2O/c22-19(18-10-12-20-13-11-18)21-14-4-7-17(15-21)9-8-16-5-2-1-3-6-16/h1-3,5-6,10-13,17H,4,7-9,14-15H2
• InChIKey: YBYJUUNJQGOJEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-phenylethyl)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 4-[3-(2-phenylethyl)piperidine-1-carbonyl]pyridine
• Synonyms: 4-{[3-(2-phenylethyl)-1-piperidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.288977
• LogD (pH = 7.4): 3.2918098
• Log P: 3.291846
• Molar Refractivity: 88.6835 cm^3
• Polarizability: 33.953728 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.17
• LOG S: -4.19
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4