4-[(4-fluorophenyl)methyl]-1-[1-(2-methoxyethyl)piperidine-4-carbonyl]piperidine

• ChemBase ID: 837088
• Molecular Formular: C21H31FN2O2
• Molecular Mass: 362.4814432
• Monoisotopic Mass: 362.23695646
• SMILES: C(=O)(N1CCC(Cc2ccc(F)cc2)CC1)C1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)C(=O)N1CCC(CC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C21H31FN2O2/c1-26-15-14-23-10-8-19(9-11-23)21(25)24-12-6-18(7-13-24)16-17-2-4-20(22)5-3-17/h2-5,18-19H,6-16H2,1H3
• InChIKey: IRSXQACMNRGNPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.11
• LOG S: -4.5
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6

JChem

• H Donor: 0
• LogD (pH = 5.5): -0.3071738
• LogD (pH = 7.4): 1.3994334
• Log P: 2.715174
• Molar Refractivity: 102.6321 cm^3
• Polarizability: 39.499252 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3