N-(4-fluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine

• ChemBase ID: 522199
• Molecular Formular: C22H29FN4
• Molecular Mass: 368.4908632
• Monoisotopic Mass: 368.23762517
• SMILES: N1(C2CCN(Cc3cnccc3)CC2)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C22H29FN4/c23-19-5-7-20(8-6-19)25-21-4-2-12-27(17-21)22-9-13-26(14-10-22)16-18-3-1-11-24-15-18/h1,3,5-8,11,15,21-22,25H,2,4,9-10,12-14,16-17H2
• InChIKey: WHRKLWKDJXXGDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1'-(3-pyridinylmethyl)-1,4'-bipiperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9130287
• LogD (pH = 7.4): 0.30539626
• Log P: 2.6065419
• Molar Refractivity: 109.6053 cm^3
• Polarizability: 41.66659 Å^3
• Polar Surface Area: 31.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.02
• LOG S: -3.43
• Polar Surface Area: 31.4 Å^2
• Rotatable Bonds: 5