1-cyclohexanecarbonyl-N-(4-fluorophenyl)piperidin-3-amine

• ChemBase ID: 420290
• Molecular Formular: C18H25FN2O
• Molecular Mass: 304.4023032
• Monoisotopic Mass: 304.19509165
• SMILES: N1(C(=O)C2CCCCC2)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)C1CCCCC1
• InChI: InChI=1S/C18H25FN2O/c19-15-8-10-16(11-9-15)20-17-7-4-12-21(13-17)18(22)14-5-2-1-3-6-14/h8-11,14,17,20H,1-7,12-13H2
• InChIKey: JGBOCRRAYIAYFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexanecarbonyl-N-(4-fluorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-cyclohexanecarbonyl-N-(4-fluorophenyl)piperidin-3-amine
• Synonyms: 1-(cyclohexylcarbonyl)-N-(4-fluorophenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.366036
• LogD (pH = 7.4): 3.4127028
• Log P: 3.4133315
• Molar Refractivity: 87.1719 cm^3
• Polarizability: 32.972954 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.84
• LOG S: -4.53
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3