4-fluoro-1-{[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}piperidine

• ChemBase ID: 697410
• Molecular Formular: C16H25FN2S
• Molecular Mass: 296.4465032
• Monoisotopic Mass: 296.17224803
• SMILES: s1c(ccc1CN1CCC(CC1)F)CN1CCCCC1
• Canonical SMILES: FC1CCN(CC1)Cc1ccc(s1)CN1CCCCC1
• InChI: InChI=1S/C16H25FN2S/c17-14-6-10-19(11-7-14)13-16-5-4-15(20-16)12-18-8-2-1-3-9-18/h4-5,14H,1-3,6-13H2
• InChIKey: RQRFWYPGMZOQQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1-{[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}piperidine
• IUPAC Traditional name: 4-fluoro-1-{[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}piperidine
• Synonyms: 4-fluoro-1-{[5-(piperidin-1-ylmethyl)-2-thienyl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5818071
• LogD (pH = 7.4): 0.7531312
• Log P: 2.9608777
• Molar Refractivity: 83.9916 cm^3
• Polarizability: 32.35083 Å^3
• Polar Surface Area: 6.48 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: 2.25
• LOG S: -2.28
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4