1-[3-(furan-2-yl)phenyl]-N-(1-propylpiperidin-4-yl)piperidin-4-amine

• ChemBase ID: 402856
• Molecular Formular: C23H33N3O
• Molecular Mass: 367.52762
• Monoisotopic Mass: 367.26236269
• SMILES: N1(c2cc(c3occc3)ccc2)CCC(NC2CCN(CC2)CCC)CC1
• Canonical SMILES: CCCN1CCC(CC1)NC1CCN(CC1)c1cccc(c1)c1ccco1
• InChI: InChI=1S/C23H33N3O/c1-2-12-25-13-8-20(9-14-25)24-21-10-15-26(16-11-21)22-6-3-5-19(18-22)23-7-4-17-27-23/h3-7,17-18,20-21,24H,2,8-16H2,1H3
• InChIKey: RNUGWWWAMLZVHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(furan-2-yl)phenyl]-N-(1-propylpiperidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[3-(furan-2-yl)phenyl]-N-(1-propylpiperidin-4-yl)piperidin-4-amine
• Synonyms: 1-[3-(2-furyl)phenyl]-N-(1-propylpiperidin-4-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2294571
• LogD (pH = 7.4): -0.19929302
• Log P: 3.3386564
• Molar Refractivity: 112.8938 cm^3
• Polarizability: 44.889645 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: 3
• H Donor: 1
• Log P: 4.05
• LOG S: -4.33
• Polar Surface Area: 31.65 Å^2
• Rotatable Bonds: 6