N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(furan-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 552745
• Molecular Formular: C21H35N3O
• Molecular Mass: 345.5221
• Monoisotopic Mass: 345.27801276
• SMILES: N1(CCC(CNC2CCN(Cc3occc3)CC2)CC1)C1CCCC1
• Canonical SMILES: C1CCC(C1)N1CCC(CC1)CNC1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C21H35N3O/c1-2-5-20(4-1)24-13-7-18(8-14-24)16-22-19-9-11-23(12-10-19)17-21-6-3-15-25-21/h3,6,15,18-20,22H,1-2,4-5,7-14,16-17H2
• InChIKey: YZKPWECGPSUGBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(furan-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(furan-2-ylmethyl)piperidin-4-amine
• Synonyms: N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-(2-furylmethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.5654364
• LogD (pH = 7.4): -3.5481312
• Log P: 2.460756
• Molar Refractivity: 103.8303 cm^3
• Polarizability: 40.905514 Å^3
• Polar Surface Area: 31.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.56
• LOG S: -2.9
• Polar Surface Area: 31.65 Å^2
• Rotatable Bonds: 6