N-(4-fluorophenyl)-1-[1-(propan-2-yl)piperidine-4-carbonyl]piperidin-3-amine

• ChemBase ID: 325177
• Molecular Formular: C20H30FN3O
• Molecular Mass: 347.4701032
• Monoisotopic Mass: 347.23729082
• SMILES: N1(C(=O)C2CCN(CC2)C(C)C)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C20H30FN3O/c1-15(2)23-12-9-16(10-13-23)20(25)24-11-3-4-19(14-24)22-18-7-5-17(21)6-8-18/h5-8,15-16,19,22H,3-4,9-14H2,1-2H3
• InChIKey: ICJXMFVIJOAWSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-[1-(propan-2-yl)piperidine-4-carbonyl]piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(1-isopropylpiperidine-4-carbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(1-isopropyl-4-piperidinyl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.81356466
• LogD (pH = 7.4): 0.6329523
• Log P: 2.559838
• Molar Refractivity: 100.8634 cm^3
• Polarizability: 38.18001 Å^3
• Polar Surface Area: 35.58 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: 2.71
• LOG S: -3.6
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3