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

• ChemBase ID: 699028
• Molecular Formular: C24H35N3O
• Molecular Mass: 381.5542
• Monoisotopic Mass: 381.27801276
• SMILES: N1(C2CCN(Cc3occc3)CC2)CC(Nc2ccc(cc2)C(C)C)CCC1
• Canonical SMILES: CC(c1ccc(cc1)NC1CCCN(C1)C1CCN(CC1)Cc1ccco1)C
• InChI: InChI=1S/C24H35N3O/c1-19(2)20-7-9-21(10-8-20)25-22-5-3-13-27(17-22)23-11-14-26(15-12-23)18-24-6-4-16-28-24/h4,6-10,16,19,22-23,25H,3,5,11-15,17-18H2,1-2H3
• InChIKey: IBKNCLHXLJMFNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-[4-(propan-2-yl)phenyl]piperidin-3-amine
• IUPAC Traditional name: 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-isopropylphenyl)piperidin-3-amine
• Synonyms: 1'-(2-furylmethyl)-N-(4-isopropylphenyl)-1,4'-bipiperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.57546407
• LogD (pH = 7.4): 1.5856664
• Log P: 3.986768
• Molar Refractivity: 118.1275 cm^3
• Polarizability: 45.251434 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: 4.67
• LOG S: -4.46
• Polar Surface Area: 31.65 Å^2
• Rotatable Bonds: 5